Eval15 Commands

List of commands

abort

adcnoise

• Observed
  σ = √ ( Intensity + (msa1*Intensity)² + bgnoise²)
• Model
  σ = √ ( Intensity + bgnoise²)

addconstant

ambiguity

  0 1 0
  1 0 0
  0 0 1

• if an orientation matrix is not read from the boxfile ( after, for example, rmat) the reflection indices from the boxfile will still be transformed. It this case it is up to the operator to supply a well transformed orientation matrix.
• All commands that open a boxfile (boxopen, boxnext, file, read, refinebox, refineouter) set ambiguity off.

animo

anivec

autofirst

• on: the first reflection of any newly opened boxfile will be read.
• off: read the header of a newly opened boxfile, but do not read the first reflection.

autorestore

• on: the all variables, the refined ones included (free), will be set to their initial values before each new reflection (actually, a restore init is executed before a new reflection is read).
• off: the values of all variables are not changed between reflections. A refined value thus propagates to the next reflection.

badresponsthreshold

batch

• abort on
• autorestore on
• correct none
• graphics off
• simulate 1000 (if simulate has not been set)
• output all none
• output cvector normal
• output refine normal
• output simulate normal

  eval15 batch simulate 10000 boxopen s01f001

beamgridsize

beampixelsize

beampos

boxclose

boxfixed

boximpactdiff

boxnext

boxopen

• If a file scanname.pic exists, its contents will be read (see loadexppic).
• If a file filename.pic exists, its contents will be read (see loadexppic).
• If a file filename.evc exists, its contents will be read (see loadxtalevc).

• If a file filename.rmat exists, its contents will be read (see rmat). The rmat from the boxfile will be ignored.
• If a file filename.rmat does not exist and file scanname.rmat exists, its contents will be read (see rmat). The rmat from the boxfile will be ignored.

• If a file filename.rmatX exists, its contents will be read (see rmatX). The twinrmat from the boxfile will be ignored.
• If a file filename.rmatX does not exist and file scanname.rmatX exists, its contents will be read (see rmatX). The twinrmat from the boxfile will be ignored.

boxscan

• The fom can only be calculated if boxdata are available (boxopen or file) and simulate > 0.
• If one of the qvector components is selected, a valid rmatrix is needed. The rmatrix from boxfilename will be ignored by boxscan. A valid rmatrix can be loaded with the rmat command, or by reading a reflection from boxfilename before issuing boxscan.

boxsize

cell

centraloverlap

changecoef

• main
  Change the main intensity coefficient.
  • svd. Use the fittet result
  • zero. Set coefficient to 0.0
  • calc. Use Icalc as intensity. Use readfcalc or readicalc to read the intensities of all reflections.
• nb
  Change the coefficients for the neighbour intensities
  • svd. Use the fittet result
  • zero. Set all neighbour coefficients to 0.0
  • calc. Use Icalc for the neighbour intensities. Use readfcalc or readicalc to read the intensities of all reflections.
• bg
  Change the background coefficients
  • svd. Use the fittet result
  • zero. Set all background coefficients to 0.0

check

• invalid
  Print all invalid pixels. For example: bad respons, overflow, overlap
• overflow
  Print all overflow pixels
• pixel h v r
  Print information on a specific pixel, specified by h (horizontal coordinate), v (vertical coordinate), r (frame number)

clear

cntclose

cntfile

cntwrite

collimatordiameter

collimatortheight

collimatortype

• circle
  A circular collimator is used if collimatordiameter>0.0
• slit
  A square collimator is used if both collimatorheight and collimatorwidth >0.0

collimatorwidth

colour

colourscheme

• grey: from white to black. But see colour lowwhite
• rb: from red, via black to blue
• rainbow: from red via yellow and green to blue
• bry: from blue via red to yellow

contour

correct

• none
  No correction will be applied
• normal
  Commands and options will be corrected.
• full
  As before plus possible corrections are printed
• debug
  As before plus all available commands/options are printed

cutoff

• Inside pixels will be drawn in outline mode if the appropriate link is set.
• The effective pointspread of a reflections is the sum of the inside pixels in the pointspread-slices divided by the total number of simulations.
• Only inside pixels are used for the evaluation of various 'inside' counters and the eval14 intensity.
• Only inside pixels are used to calculate Fom_peak (See fomtype)
• reject uses Fom_peak and Fom_box

cvectorrot

debugimpact

delay

dict

dictname

diffracpos

diffdividesigma

• on. Draw Δ/σ in a linear scale and a special colour scheme. See diffscale for a description.
• off. SliceDiff plots are done in the same way as the other slices.

diffscale

• Δ. The value of slicediff-slices, the difference between observed pixels and the modelled profile.
• σ. See difftype.
• delsig = Δ/σ

• The pixels will be drawn in 7 colours (three red from light to dark, one black, three blue from dark to light).
• The colours will be assigned using a linear scale from -3*f to +3*f
• With the default value (f=1.0) there will be 3 red colours expressing Δ/σ= -3, -2 and -1 and 3 blue colours expressing Δ/σ= 1, 2 and 3. All pixels with Δ/σ between -1 and +1 are drawn in black.
• If f=3.0 the colour assignments are -9, -6, -3 and 3, 6, 9.
• Red pixels indicate stronger model
• blue pixels indicate stronger observation.

difftype

• Δ is the difference between observed pixels and the modelled profile
• σ
  • difftype observed
    The content of σ = σ_observed = √ ( I_observed + (msa1*I_observed)² + (adcnoise/gain)²)
  • difftype model
    σ = σ_model = √ ( I_model + (adcnoise/gain)²)
  • difftype combined
    σ = √ (σ_observed² + σ_model²)
• delsig = Δ/σ will be plotted with a special colourscheme, explained at diffscale.

dirax

diraxclose

diraxopen

dist

distribution

• distribution plot

  Syntax: distribution plot.
  A new window will be created, with dimensions set by distribution size or distribution fraction.
  • distribution type lambda.
    Samples the wavelength generating routine and draws a histogram of the wavelength spectrum. The sampling of the distribution will continue until the highest value reaches the value set by distribution simulate.
    
  • distribution type latt. Draws a histogram of the lattice distortion. The sampling of the distribution will continue until the highest value reaches the value set by distribution simulate.
  • distribution type onescan.
    Draws fom (see fomtype) as function of a variable. The command distribution plot will be executed automatically after the onescan command.
  • distribution type rot.
    Draws a histogram of the simulated rot-values. The command distribution plot will be executed automatically after every simulation.

• distribution autolimit

  Syntax: distribution autolimit state.
  Default: distribution autolimit on.
  Actual: show distribution
  If set to off the horizontal limits will be as set by distribution limit.
  If set to on:
  • distribution type hor.
    The horizontal limits are the minimum and maximum horvalue from the boxfile.
  • distribution type lambda.
    The lower and upper limits of the plot are based on the wavelength records with a lambdaweight>0.0.
    For each wavelength record a minimum and maximum value is calculated:
    • if lambdalow is positive, the minimum is set to lambdalow, otherwise it is set to lambda-5*sigma.
    • if lambdahigh is positive, the maximum is set to lambdahigh, otherwise it is set to lambda+5*sigma.
    The minimum of the plot is set to the smallest minimum value of all wavelength records. The maximum of the plot is set to the largest maximum value of all wavelength records.
  • distribution type latt.
    The limits of the plot will be set to the values of lattlow and latthigh.
  • distribution type onescan.
    The horizontal limits will be set to minimum and maximum values of the onescan variable.
  • distribution type rot.
    The horizontal limits are the minimum and maximum rotvalue from the boxfile.
  • distribution type ver.
    The horizontal limits are the minimum and maximum vervalue from the boxfile.
  Note: distribution autolimit will be set for the current selected distribution type (every distribution type has a corresponding autolimit).

• distribution connect

  Syntax: distribution connect state.
  Default: distribution connect on.
  Actual: show distribution
  If on, lines will be drawn from point to point. If off, vertical lines (like bars) are drawn.

• distribution fraction

  Syntax: distribution fraction f.
  Default: distribution fraction 0.4.
  Actual: show distribution
  If the dimensions of the distribution plot window are not set (distribution size -1 -1), they will be set to f*screenwidth and 0.5*f*screenheight.

• distribution limit

  Syntax: distribution limit f g.
  Actual: show distribution
  Sets horizontal plot limits for the distribution plot of the current selected distribution type. These limits will only be used if the corresponding distribution autolimit is set to off.
  The default values are:

  distribution type	lower	upper
  hor	-dethor	dethor
  lambda	0.0	2.0
  latt	-5.0	5.0
  onescan	-1.0	-1.0
  rot	-1.0	-1.0
  ver	-detver	detver

• distribution simulate

  Syntax: distribution simulate n.
  Default: distribution simulate 10000.
  Actual: show distribution
  A distribution plot) will continue until the highest value in the distribution reaches n.

• distribution size

  Syntax: distribution size width height.
  Default: distribution size -1 -1.
  Actual: show distribution
  If set to positive numbers, the window used by distribution plot will have dimensions width and height. If set to negative numbers, the window dimensions are calculated by width=distribution fraction*screenwidth and height=0.5*distribution fraction*screenheight.

• distribution title

  Syntax: distribution title and some text.
  Default: distribution lambda.
  Actual: show distribution
  Sets the title of the distribution-window. Note: the title will be reset by the distribution type command.

• distribution type

  Syntax: distribution type box/hor/lambda/latt/onescan/rot/rotsim/ver.
  Default: distribution lambda.
  Actual: show distribution
  Sets the type of distribution for the distribution plot command. The title of the distribution-window will also be set, and can be changed with distribution title.
  • box
    distribution plot will plot the foms versus reflection number. The necessary data are created with refinefile and boxscan.
  • hor
    go will plot histogram of simulated hor-values
  • lambda
    distribution plot will sample and plot wavelength spectrum.
  • latt
    distribution plot plot lattice distortion
  • onescan
    onescan will plot the variation of fom (see fomtype)
  • rot
    go will plot histogram of simulated rot-values
  • ver
    go will plot histogram of simulated ver-values

divmax

draw

• draw beamprofilehor

  Syntax: draw beamprofilehor state.
  Default:draw beamprofilehor off.
  Actual: show appearance
  If sampleplot beam=on Do/DoNot draw horizontal beam profiles in the sample-window. The simulated beam profile wil be drawn in colour profile, the fitted gaussian beam profile in colour profilefit.
  See the beam page.

• draw beamprofilever

  Syntax: draw beamprofilever state.
  Default:draw beamprofilever off.
  Actual: show appearance
  If sampleplot beam=on Do/DoNot draw vertical beam profiles in the sample-window. The simulated beam profile wil be drawn in colour profile, the fitted gaussian beam profile in colour profilefit.
  See the beam page.

• draw central

  Syntax: draw central state.
  Default:draw central off.
  Actual: show appearance
  Do/DoNot plot the central impact.
  • in the FLXM-windows with a filled circle. The size of the circle is 1% of the window size.
  • in the slice windows with a cross.
  The initial impact is drawn as a cross with colour centralfirst and background colour centralbgfirst only in a zoomed window. After refine, the shifted central impact is drawn with colour centrallast and background colour centralbglast. if draw gravity is on GravityObs is drawn in colour centralgravityobs and GravityCalc is drawn in colour centralgravitycalc (onloy in a zoomed window).
  • With stills only:
    The initial and final impacts correspond to η-impacts. The centre of gravity of the pixels within the reflection is drawn with colour centralgravity.

• draw contourpoints

  Syntax: draw contourpoints state.
  Default:draw contourpoints off.
  Actual: show appearance
  Do/DoNot plot contour points. These are the impacts contributing to the contours. The points are only plotted if the corresponding contour type is set to on. The colour of the points can be set with the command colour contourpoints.

• draw fitgauss

  Syntax: draw fitgauss state.
  Default:draw fitgauss on.
  Actual: show appearance
  Do/DoNot draw the fitted gaussian profiles in the projection-windows (only applicable if draw profilehor and/or draw profilever are on)

• draw flexible

  Syntax: draw flexible state.
  Default:draw flexible on.
  Actual: show appearance
  Only used with still data. Do/DoNot plot the combined η/θ-impact (stilltype=flexible, flex).

• draw gravity

  Syntax: draw gravity state.
  Default:draw gravity on.
  Actual: show appearance
  Do/DoNot plot the Observed and Calculated center of gravity. These points will only be drawn with draw central on. GravityCalc is only drawn in a zoomed window.

• draw grid

  Syntax: draw grid state.
  Default: draw grid on.
  Actual: show appearance
  Draw a grid in the FLXM-windows. The colour is set by colour grid. The grid uses the settings of pixelsize.

• draw legenda

  Syntax: draw legenda state.
  Default:draw legenda on.
  Actual: show appearance
  Do/DoNot draw the legenda in the legenda-window.
  Related command: legenda.

• draw nb

  Syntax: draw nb state.
  Default:draw nb off.
  Actual: show appearance
  Draws a number ( = neighbour reflection ) at the predicted position. The number(s) will be plotted in the window(s) where the corresponding slicetypes (nbXX) are drawn (see link nb??)

• draw profilehor

  Syntax: draw profilehor state.
  Default:draw profilehor off.
  Actual: show appearance
  Do/DoNot draw horizontal profiles in the projection-window. The colour of the profile can be set by colour profile. If draw fitgauss=on a gaussian will be fitted through this profile and plotted with colour profilefit.

• draw profilever

  Syntax: draw profilever state.
  Default:draw profilever off.
  Actual: show appearance
  Do/DoNot draw vertical profiles in the projection-window. The colour of the profile can be set by colour profile. If draw fitgauss=on a gaussian will be fitted through this profile and plotted with colour profilefit.

• draw simulated

  Syntax: draw simulated state.
  Default:draw simulated on.
  Actual: show appearance
  If set, simulated impacts will be plotted in the FLXMN-window. (The drawing of impacts related to the eval14-contour-like graphics is controlled by impact). The colourscheme is set by impactcolourtype. Also, if impactrow is nonzero, the impacts are drawn in the specified row of the slice-windows. If lambdarange>0.0 some wavelengths will be choosen between the lowest and highest wavelength of the spectrum. These impacts will be plotted with colour alpha0 .

dump

dur

edgefraction

epsilon

eval14

• During the simulation, some impacts may not hit the area within the box. The pointspread function spreads the intensity of each impact throughout the whole box. Some of this intensity will be spread outside the box. In other words, some of the intensity of a specific reflection is not available in the box.
  The effective pointspread of a reflection is the sum of the inside pixels in the pointspread-slices divided by simulate. If eval14pointspread=on the final eval14-like intensity and sigma will be divided by this effective pointspread.
• When overlap with other reflections occurs, the eval14-like integration is probably wrong. The values of eval14I and eval14S will be overruled by the corresponding eval15 results if the number of overlapping pixels exceeds eval14threshold.

eval14pointspread

eval14threshold

eval14type

• normal Use eval14I as it is.
• sumray multiply eval14I by simulated/sumray

exhor

exit

exrot

exver

facetest

Eval15> facetest
8 corners
 nr   x        y        z      distance Faces
  1  0.25000  0.25000  0.25000  0.43301 1 2 3
  2 -0.25000  0.25000  0.25000  0.43301 1 2 4
  3  0.25000 -0.25000  0.25000  0.43301 1 3 5
  4 -0.25000 -0.25000  0.25000  0.43301 1 4 5
  5  0.25000  0.25000 -0.25000  0.43301 2 3 6
  6 -0.25000  0.25000 -0.25000  0.43301 2 4 6
  7  0.25000 -0.25000 -0.25000  0.43301 3 5 6
  8 -0.25000 -0.25000 -0.25000  0.43301 4 5 6

6 active faces
 nr   x        y        z      distance   P Corners
  1  0.00000  0.00000  1.00000  0.25000   4 1 2 3 4
  2  0.00000  1.00000  0.00000  0.25000   6 1 2 5 6
  3  1.00000  0.00000  0.00000  0.25000   7 1 3 5 7
  4 -1.00000  0.00000  0.00000  0.25000   8 2 4 6 8
  5  0.00000 -1.00000  0.00000  0.25000   8 3 4 7 8
  6  0.00000  0.00000 -1.00000  0.25000   8 5 6 7 8

Face Angles
Face 1 2: 90.0 3: 90.0 4: 90.0 5: 90.0
Face 2 1: 90.0 3: 90.0 4: 90.0 6: 90.0
Face 3 1: 90.0 2: 90.0 5: 90.0 6: 90.0
Face 4 1: 90.0 2: 90.0 5: 90.0 6: 90.0
Face 5 1: 90.0 3: 90.0 4: 90.0 6: 90.0
Face 6 2: 90.0 3: 90.0 4: 90.0 5: 90.0

6 unchanged faces
Face   x        y        z        Dist
   1  0.00000  0.00000  1.00000  0.25000
   2  0.00000  1.00000  0.00000  0.25000
   3  1.00000  0.00000  0.00000  0.25000
   4 -1.00000  0.00000  0.00000  0.25000
   5  0.00000 -1.00000  0.00000  0.25000
   6  0.00000  0.00000 -1.00000  0.25000

TITL Cube
CELL 0.71073 10 10 10 90 90 90
FACE    1  0  0  0.250
FACE   -1  0  0  0.250
FACE    0  1  0  0.250
FACE    0 -1  0  0.250
FACE    0  0  1  0.250
FACE    0  0 -1  0.250

6 unchanged faces
Face   x        y        z        H   K   L    Dist
   1  1.00000  0.00000  0.00000   1   0   0  0.25000
   2 -1.00000  0.00000  0.00000  -1   0   0  0.25000
   3  0.00000  1.00000  0.00000   0   1   0  0.25000
   4  0.00000 -1.00000  0.00000   0  -1   0  0.25000
   5  0.00000  0.00000  1.00000   0   0   1  0.25000
   6  0.00000  0.00000 -1.00000   0   0  -1  0.25000

6 faces 8 corners 12 edges

faceconvert

• If crystal faces have been read by readins
• AND that file contains an orientationmatrix (RMAT)
• AND the current RMAT is different

fbg

fbragg

fibre

fibreaxis

file

fix

flex

focfile

• Read focus corner points from filename. The corner points are defined in the laboratory system.
• The order of the points is strict. Point 1 must connect to point 2 and point 1 must connect to point 3.
• The line between 1 and 2 is called vertical, the line between 1 and 3 is called horizontal.
• focustype will be set to file
• focus hor and focus ver will also be used.
• focus length, focus width and focus dist will be ignored.

• Create a focus with length 0.2 and width 0.1 at a distance of 40 mm
  

  focustype tube
  focus length 0.2
  focus width 0.1

  
  The resulting focus corners can be displayed using output focus debug and go.
  Create a file focus.foc
  

  40 -0.1  0.05
  40  0.1  0.05
  40 -0.1 -0.05
  40  0.1  0.05

  
  

  focfile focus.foc

• Create a diamond shaped focus with length 0.2 and width 0.1 at a distance of 25 mm
  

  25  0.0  0.05
  25 -0.1  0.0
  25  0.1  0.0
  25  0.0 -0.05

focus

• focus convergent

  Syntax: focus convergent state.
  Default: see focustype.
  Actual: show focus
  Sets the convergence of the primary beam during simulation. A convergent beam will only be used if focustype=mirror.
  • on
    The incoming beam will converge to a virtual point (focus focaldist mm behind the xtal); The values of focus length and focus width are ignored. The actual width and length are calculated by extrapolating the focal spot back to a virtual focus at distance focus dist. The contour is calculated using these values. During a simulation, the values of focus slitdist, focus slithor and focus slitver are used to limit the simulated xrays.
  • off
    The values of focus slitdist, focus slithor and focus slitver are used to setup the focus (instead of respectively focus dist, focus length and focus width).
  eval15 will try up to maxtry times to get an acceptable focus vector during a simulation (simulate > 0).

• focus dist

  Syntax: focus dist x.
  Abbreviation: fdist.
  Default: see focustype.
  Actual: show focus
  Sets the focus distance (in mm) to x. Use focus length and focus width to set the focus dimension.
  focus dist is a refineable variable.
  focusdist can also be set from xtal.evc and boxfile.evc (see boxopen, loadxtalevc).
  Related commands: onescan.

• focus focaldist

  Syntax: focus focaldist x.
  Default: see focustype.
  Actual: show focus
  Sets the focal point (in mm) of the focus convergent beam. A convergent beam will only be used if focustype=mirror.
  Related commands: focus focalradius, focus slitdist, focus slithor, focus slitver.

• focus focalradius

  Syntax: focus focalradius x.
  Default: see focustype.
  Actual: show focus
  Sets the dimension of the focal point (in mm) of the convergent beam. A convergent beam will only be used if focustype=mirror.
  Related commands: focus focaldist, focus slitdist, focus slithor, focus slitver.

• focus hor

  Syntax: focus hor x.
  Default: focus hor 0.0.
  Actual: show focus
  Sets the horizontal offset of the focus.

• focus length

  Syntax: focus length x.
  Abbreviation: flength.
  Default: see focustype.
  Actual: show focus
  Sets the focus length to x (in mm). Use focus dist to set the focus distance and focus width to set the focus width. Note: if focustype=mirror the value of focus length will not be used.
  focus length is a refineable variable.
  focuslength can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

• focus rot

  Syntax: focus rot x.
  Default: focus rot 0.0.
  Actual: show focus
  
  • The focus corner points are build with focusdist, focuslength and focuswidth.
  • These points are then rotated around the x-axis over x degrees.
  • Finally, focushor and focusver are added.

• focus slitdist

  Syntax: focus slitdist x.
  Default: see focustype.
  Actual: show focus
  Sets the distance (in mm) between the slits and the xtal. Slits are only used if focustype=mirror. If focus convergent=on slits are only used in the simulation to limit the xrays originating from the virtual focus. If focus convergent=off the focus is setup using the values of focus slitdist, focus slithor and focus slitver (instead of respectively focus dist, focus length and focus width).
  Related commands: focus focaldist, focus focalradius, focus slithor, focus slitver.

• focus slithor

  Syntax: focus slithor f.
  Default: see focustype.
  Actual: show focus
  Sets the horizontal aperture (in mm) of the slits. Slits are only used if focustype=mirror. If focus convergent=on the slits are used to limit the xrays originating from the virtual focus. If focus convergent=off the focus is setup by the values of focus slitdist, focus slithor and focus slitver (instead of respectively focus dist, focus length and focus width).
  Related commands: focus focaldist, focus focalradius.

• focus slitver

  Syntax: focus slitver f.
  Default: see focustype.
  Actual: show focus
  Sets the vertical aperture (in mm) of the slits. Slits are only used if focustype=mirror. If focus convergent=on the slits are used to limit the xrays originating from the virtual focus. If focus convergent=off the focus is defined by the values of focus slitdist, focus slithor and focus slitver (instead of respectively focus dist, focus length and focus width).
  Related commands: focus focaldist, focus focalradius.

• focus ver

  Syntax: focus ver x.
  Default: focus ver 0.0.
  Actual: show focus
  Sets the vertical offset of the focus.

• focus width

  Syntax: focus width x.
  Abbreviation: fwidth.
  Default: see focustype.
  Actual: show focus
  Sets the focus width (in mm) to x. Use focus dist to set the focus distance and focus length to set the focus width.
  Note: if focustype=mirror the value of focus length will not be used.
  focus width is a refineable variable.
  focuswidth can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

focuschange

focuslambda

• 0. The focus will be sampled with random points.
• 1. If the sampled wavelength belongs the lambda1, the focus will be sampled in the lower 10% vertical area. If the sampled wavelength belongs the lambda2, the focus will be sampled in the upper 10% vertical area.
• 2. If the sampled wavelength belongs the lambda1, the focus will be sampled in the left 10% horizontal area. If the sampled wavelength belongs the lambda2, the focus will be sampled in the right 10% horizontal area.

focustype

follow

fomtype

force

forever

framefraction

free

gain

go

goniostatchange

• If you want to change one of the goniostat items before opening a boxfile, you have to set the same goniostattype as in the boxfile, otherwise the boxfile contents will re-initialize the goniostat parameters.

goniostatprint

goniostattype

• If the new goniostattype differs from the current one, all goniostat items will be initialized.
• The goniostatype will also be set by the corresponding records in a boxfile.

graphics

gravity

gravitycycles

gravitytype

• main
  Use the pixels from the main reflection. (cutoff)
• box
  Use all pixels.

gui

help

hkl

• While Reading Boxfile
  Skip reflections in the boxfile until the next occurance of the requested reflection.
• No boxfile in use
  If a rmatrix is defined (see rmat and readins), this command will calculate the c-vector from h k l. The actual impact depends on the setting of left or right and the values of goniostat.
  The c-vector thus calculated will be overruled by succeeding chi, phi, theta, hor or ver commands.

ignore

• off
  After boxopen or file, the information in the boxfile will be used to define the corresponding item.
• on
  The corresponding parameters as set by you will not change if a new boxfile will be opened.

imagefilename

impact

impactcolourtype

• alpha. Colours are set for alpha1, alpha2, alpha3....
• effective. If the effective intensity of the ray is less than sampleplotfloor the colour of the impact is colour xtal, otherwise it is colour focus.
• focushor. Colours vary with the horizontal coordinate of the focus points (along focus length)
• focusver. Colours vary with the vertical coordinate of the focus points (along focus width)
• lambda. Colours vary with the wavelength. The range is fixed to lambda-0.02 and lambda+0.02
• mosaic. Colours are set for mosaic1, mosaic2....

impactdotsize

impactlabel

impactnb

• If n is a positive number, the impacts for the specified (active) neighbour will be drawn. These impacts are only calculated if nbtype=separate.
• If n is 0, the impacts for the main reflection are drawn
• If n is -1, the impacts for the main reflection and all neightbour reflections are drawn. The impacts of the neighbour reflections are only calculated if nbtype=separate.

impactrow

incidencecoefficient

corr = 1+f*(1-cos(incid))

        Iold
Inew = ——————
        corr

incidencecoefficient2

x = 90-incid
corr = 1 + f2*e(1-x)/f3)

        Iold
Inew = ——————
        corr

incidencecoefficient3

inner

intermediate

isigrefine

kappasupport

lambdaadd

lambdaaddfull

lambdacalcmean

lambdahigh

lambdainit

lambdalow

lambdameanmid

• If the wavelength is set with the target command, or if a target is specified in the boxfile (boxopen or file), λ_mean and λ_mid are calculated from lambdavalue1 with lambdaweight1 and lambdavalue2 with lambdaweight2.
• If only one wavelength is specified in the boxfile (boxopen or file), λ_mean and λ_mid are set to this value.

lambdaprint

lambdarange

lambdasigma

lambdatype

• gauss. Wavelengths are generated with a gaussian distribution around the central lambdavalue. The value of lambdasigma corresponds to 99% (3 sigma) of this distribution. Some simulated vectors will be outside the value specified by lambdasigma, and can lie outside the various contours.
• lor. Wavelengths are generated with a lorentz distribution around the central lambdavalue. The value of lambdasigma corresponds to 99% of this distribution. Some simulated vectors will be outside the value specified by lambdasigma, and can lie outside the various contours.
• block. Wavelengths are generated with a block distribution around the central lambdavalue. The value of lambdasigma corresponds to 100% of this distribution (so sigma_block corresponds to 3*sigma_gauss)

lambdavalue

lambdaweight

largelegenda

latt

• lattiso on The simulated cvectors will be distorted:
  • Distortion is only done on a fraction of the simulations. This fraction is set with lattfraction. A value of 0.0 will result in no distortion at all. A value of 1.0 will distort all simulations.
  • f is the full width of the (symmetrical) distribution.
  • The distortion distribution depends on latttype
  • The actual boundaries of the lattice distortion can be limited with the lattlow and latthigh commands.
  • The distortionfactor is 1.0 + g*f where g is a random number following the distribution set by latttype. The generated cvector will be multiplied with the distortionfactor.
  Related commands: lattfraxction, latthigh, lattlow, latttype, onescan.
• lattiso off
  • The lattice will be enlarged and shrinked in the direction of the lattvec.
  • f is the full width of the (symmetrical) distribution.
  • The volume of the distorted cell is (1+0.5*f) times the original volume.
  • The distribution of simulated impacts along this distortion is defined by latttype.
    The actual boundaries of the lattice distortion can be limited with lattlow and latthigh.
  • example:

    latt 0.1
    lattvec 0 0 1
    

    
    A new orientation matrix will be generated using these two commands. The new matrix will have a 5% longer c-axis.
    Related commands: latthigh, lattlow, latttype, lattvec, onescan.
  latt is a refineable variable.

  lattfraction

  Syntax: lattfraction f.
  Default: lattfraction 1.0.
  Actual: show mosaic
  

  latthigh

  Syntax: latthigh f.
  Default: latthigh 100.
  Actual: show mosaic
  Sets the upper limit on the range of the simulated latt values.
  Example:
  

  latt 0.2
  latttype gauss
  lattlow -100
  latthigh 0
  

  
  Generate latt vectors with a gaussian distribution. 99% of the vectors will lie between -0.1 and 0.1 (thus 1% will exceed the value set by latt) but the latthigh value limits this to negative vectors.
  Related commands: latt, latthigh.

  lattiso

  Syntax: lattiso state.
  Default: lattiso on.
  Actual: show mosaic
  Sets isotropic or anisotropic lattice distortion. See the description iof latt.

  lattlow

  Syntax: lattlow f.
  Default: lattlow -100.
  Actual: show mosaic
  Sets the lower limit on the range of the simulated latt values.
  Example:
  

  latt 0.2
  latttype gauss
  lattlow 0
  latthigh 100
  

  
  Generate latt vectors with a gaussian distribution. 99% of the vectors will lie between -0.1 and 0.1 (thus 1% will exceed the value set by latt) but the lattlow value limits this to positive vectors.
  Related commands: latt, latthigh.

  latttype

  Syntax: latttype block/gauss/lor.
  Default: latttype lor.
  Actual: show mosaic
  Sets the lattice distortion type. Used only in the simulation.
  • block. Impacts are generated within the limits set by latt.
  • gauss. Impacts are generated with a gaussian distribution around the central vector. The value of latt corresponds to 99% of the whole distribution.
  • lor. Impacts are generated with a lorentz distribution around the central vector. The value of latt corresponds to 99% of the whole distribution.
  Use latt to set the amount of distortion. Use distribution type latt and distribution plot to plot the latt distribution.
  Related command: latt.

  lattvec

  Syntax: lattvec u v w.
  Default: lattvec 0 0 1.
  Actual: show mosaic
  Sets the lattice distortion vector (in terms of the direct lattice). Use latt to set the amount of distortion.
  Related command: vecscan.

  legenda

  Syntax: legenda all/changed/contour/cvector/eval14/focus/goniostat/mosaic/outray/view/xrot state.
  Actual: show legenda
  Controls the amount of information in the legenda-window.

  Option	Default	Description
  bg	off	background coefficients
  changed	off	non-default process variables
  contour	off	contour dimensions
  cvector	off	zeta, cvector
  eval14	on	eval14-like intensity and sigma
  focus	off	focus parameters
  full	off	string process variables
  goniostat	off	goniostat angles
  mosaic	on	mosaic parameters
  outray	off	outray vector
  refine	on	refined variables
  simulate	on	lambdatype, mosaictype, micatype, lsqtype, weightscheme
  view	off	view vector
  xrot	on	crystal rotation

  Related commands: largelegenda.

  limits

  Syntax: limits.
  Prints maximum sizes of various arrays and the actual occupance

  link

  Syntax: link slicetype linknr rownr drawtype.
  Actual: show link
  Defines the way slice data will be drawn in the slice-windows.
  • slicetype is one of the slicetypes
  • linknr is a number (1-3)
  • rownr is the number of the row of slice-windows (1-5)
  • drawtype is one of
    • pixel filled pixel with colour dependent on pixel value
    • fill filled pixel
    • outline contour like outline. The contour level depends on cutoff.
    • box pixel border
    • point a dot in the centre of the pixel
    The pixels will be drawn in this drawtype order. The colour for pixelmode depends on the pixel value; for the other drawtypes the colour depends on the slicetype.
  The defaults are

  slicetype	linknr	rownr	drawtype
  observed	1	1	pixel
  simulated	1	2	pixel
  pointspread	1	3	pixel
  pointspread	2	1	outline
  model	1	4	pixel
  diff	1	5	pixel
  respons	1	1	fill
  overflow	1	1	fill
  nb??	1	1	outline
  reject1	1	1	box
  reject2	1	1	box

  Use unlink to disable the drawing of slice data. Use show link to print the actual link settings.

  listoff

  Syntax: listoff.
  Closes the file created by the liston command.

  liston

  Syntax: liston filename.
  Creates the file filename. During simulation the calculated impacts (hor and ver) will be written to this file. Use listoff to close the file.

  loadexppic

  Syntax: loadexppic filename.
  Reads parameters from a .pic file. The following information is extracted from the file:

  exp record	options set
  animo	animo
  anivec	anivec
  mica	mica
  micavec	micavec
  mosaic	mosaic
  shinitX	shinit
  shextraX	shextra
  shift	shift
  xtalshift	xtalshift

  loadrefine

  Syntax: loadrefine.
  Actual: (output refine full) refinestatus
  Sets new values for some (refineable) variables.

  Variable	Source
  lambda	boxfile, evcfile, lambdavalue
  sigma	boxfile, evcfile, lambdasigma
  weight	boxfile, evcfile, lambdaweight
  pointspr	pointspreadgamma
  mosaic	boxfile, evcfile, mosaic
  animo	boxfile, evcfile, animo
  mica	boxfile, evcfile, mica
  exhor	0.0
  exver	0.0
  exrot	0.0
  fdist	boxfile, evcfile, focus dist
  flength	boxfile, evcfile, focus length
  fwidth	boxfile, evcfile, focus width
  xtalscale	xtalscale

  loadrefine is automatically invoked by the commands free, force, fix, refineshift, lock, refine, refinebox, refinefile, refineouter, store and after the reading of a new reflection.

  loadxtalevc

  Syntax: loadxtal filename.
  Reads parameters from a .evc file. The following information is extracted from the file:

  xtal record	options set
  animo	animo
  anivec	anivec
  block	model 2, xa, xb, xc
  focus	focus dist, focus width, focus length
  isigshift or isigrefine	isigrefine
  mica	mica
  micavec	micavec
  mosaic	mosaic
  orient	xrotx, xroty, xrotz
  shift 0	fix shextra
  shift >0	free shextra
  shiftinit	shinit
  sphere	model 4, xa, xb, xc

  lock

  Syntax: lock variable list.
  Actual: show refine
  Fixes variables. Locked variables are not refined, an will no be switched on with a free command.
  Use force to allow a locked variable to refine.
  See the refine page.
  Related commands: free, fix, force, refineshift.

  longdelay

  Syntax: longdelay long.
  Default: longdelay 10.
  Actual: show animate
  During animate or during a walk the next simulation will start after the delay time specified with the delay command. If the current simulation results in an incomplete reflection the delay is long seconds.

  low

  Syntax: low state.
  Default: low off.
  Actual: show simulate
  If set to on lowdata in the boxfile will be used.

  lpfinal

  Syntax: lpfinal state.
  Default: lpfinal off.
  Actual: show simulate
  If set to on Lorentz and polarization corrections will be evaluated for the final impact, otherwise the initial impact position will be used.

  lsqtype

  Syntax: lsqtype allframes/perframe/svdXXX.
  Default: lsqtype svd.
  Actual: show refine
  Sets the least-squares method.
  • allframes
    Simple Least Squares with 1 matrix. No special handling of high correlations.
  • perframe
    Integration method is similar to allframes, but the integration is done per frame.
  • svdXXX
    Least squares minimization of intensities and background parameters using Singular Value Decomposition. Large correlations between Main and Neighbour reflections will be handled.
    • svd
      Background = Ax + By + C
    • svdpoly
      Background = Ax² + Bx + Cy² + Dy + Exy + F
    • svdframe
      Background = Ax + By + Cz
    • svdpolyframe
      Background = Ax² + Bx + Cy² + Dy + Exy + Fz
    • svdnobg globalbackground
      Background = globalbackground
    • svdc globalbackground
      Background = Ax + By + C + globalbackground
    • svdnoab
      Background = C
    • svdnoc globalbackground
      Background = Ax + By + globalbackground
  Related commands: changecoef, nbtype, nbcovariance, svdtol

  ---

  manual

  Syntax: manual clear/overflow/reject.
  

  • manual clear

    Syntax: manual clear.
    Clears the list set by manual reject.

  • manual reject

    Syntax: manual reject [h v r].
    Actual: show simulate
    Reject a pixel. If you do not specify the arguments h v r, you have to pick a pixel.
    manual clear will clear the list.

  • manual overflow

    Syntax: manual overflow f.
    Default: manual overflow -1.0.
    Actual: show box
    All (new read) pixels higher than f are considered to be overflow pixels.

  markdefault

  Syntax: markdefault.
  Stores all process variables into a default list. This list is used to detect changed variables. You may want to put this command at the end of the file eval15.init.
  Related commands: reset, save changed, save process, show changed, show process.

  maxtry

  Syntax: maxtry n.
  Default: maxtry 100.
  Actual: show simulate
  Sets the maximum number of tries to get an acceptable focus point. maxtry is only used during a simulation (simulate > 0) with a convergent beam (focus convergent=on)

  menu

  Syntax: menu.
  A command to set the minimum set of parameters. You will have to set:
  • dist
  • swing
  • target
  • focus dist
  • focus length
  • focus width
  • xtalscale
  • model
  • mosaic
  • animo
  • if animo > 0.0 anivec
  • animate
  • if animate
    • random cvector
      if no random cvector
      • theta
      • phi
      • chi
    • random orient
    • if animo > 0.0 random anivec
  • if no animate
    • theta
    • phi
    • chi
  • simulate

  mica

  Syntax: mica m.
  Default: mica 0.0.
  Actual: show mosaic
  Use mica and micavec to expand reflections in a reciprocal lattice direction. The contour dimensions will be increased by m in the direction set by the micavec command. micavec is defined as a reciprocal lattice vector (hkl). m is defined in terms of this vector . The mica-contribution can be made dependend of the actual reflection indices with micascale
  mica can also be set from xtal.evc, scanname.pic, boxfile.pic and boxfile.evc (see boxopen, loadexppic and loadxtalevc).
  mica is a refineable variable.
  Related commands: micahigh, micalow, micascale, micatype.

  micahigh

  Syntax: micahigh f.
  Default: micahigh 100.
  Actual: show mosaic
  Sets the upper limit on the range of the simulated mica values.
  Example:
  

  mica 0.2
  micatype gauss
  micalow -100
  micahigh 0
  

  
  Generate mica vectors with a gaussian distribution. 99% of the vectors will lie between -0.1 and 0.1 (thus 1% will exceed the value set by mica) and on top of this, the micahigh value limits this to negative vectors.
  Related commands: mica, micalow.

  micalow

  Syntax: micalow f.
  Default: micalow -100.
  Actual: show mosaic
  Sets the lower limit on the range of the simulated mica values.
  Example:
  

  mica 0.2
  micatype gauss
  micalow 0
  micahigh 100
  

  
  Generate mica vectors with a gaussian distribution. 99% of the vectors will lie between -0.1 and 0.1 (thus 1% will exceed the value set by mica) and the resulting vectors are furthermore restricted to positive vectors by the micalow value.
  Related commands: mica, micahigh.

  micascale

  Syntax: micascale f.
  Default: micascale -1.
  Actual: show mosaic
  Only used if mica is set to a positive value.
  • f < 0.0
    The contribution of mica depends on micavec and mica.
  • f > 0.0
    The contribution of mica depends on micavec, mica and the actual reflection indices. Calculate the vector product of the main reflection (hkl) and the micavec (also hkl). Let g be the length of the resulting vector. The mica-contribution to the current reflection is f * g * mica.
  
  Related command: mica.

  micatype

  Syntax: micatype block/gauss/lor.
  Default: micatype block.
  Actual: show mosaic
  Sets the mica type. Used only in the simulation.
  • block. Mica vectors are generated within the limits set by mica.
  • gauss. Mica vectors are generated with a gaussian distribution around the central vector. The value of mica corresponds to 99% (3 sigma) of this distribution. Some simulated vectors will be outside the value specified by mica, and can lie outside the various contours.
  • lor. Mica vectors are generated with a lorentz distribution around the central vector. The value of mica corresponds to 99% of this distribution. Some simulated vectors will be outside the value specified by mica, and can lie outside the various contours.
  Related command: mica.

  micavec

  Syntax: micavec h k l.
  Default: micavec 0 0 1.
  Actual: show mosaic
  Sets the mica vector (in terms of the reciprocal lattice). Use mica to set the amount of mica expansion.
  micavec can also be set from xtal.evc, scanname.pic, boxfile.pic and boxfile.evc (see boxopen, loadexppic and loadxtalevc).
  Related command: vecscan.

  model

  Syntax: model n.
  Default: model 1.
  Actual: show xtal
  Sets the xtal model. The model is build with the values of xa, xb, xc. The final size of the model is set by xtalscale.
  The dimensions in this table are based on xa=0.2 xb=0.2 xc=0.2 xtalscale=1.0. Available models are:

  n	description	corners	faces	dimensions
  1	triangle: length 3.5*xa, width xb, height xc the top is shifted 0.6*xa, 0.3*xb	6	5	0.37 0.13 0.20
  2	cube: xa * xb * xc	8	6	0.20 0.20 0.20
  3	sphere: depends only on xa	12	20	0.18 0.18 0.20
  4	sphere: depends only on xa	20	12	0.19 0.20 0.16
  5	cilinder: circle with radius xa, height xc	16	10	0.20 0.20 0.20

  You also can build a model with readcorners, readfaces or readins. See the xtal description page.
  model can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

  mosaic

  Syntax: mosaicX mos.
  Default: mosaic 1.0.
  Actual: show mosaic
  Use X to specify a mosaic number (default=1).
  Sets the isotropic mosaicity to mos. Use animo and anivec to specify an anistropic mosaicity.
  mosaic is a refineable variable.
  mosaic can also be set from xtal.evc, scanname.pic, boxfile.pic and boxfile.evc (see boxopen, loadexppic and loadxtalevc).
  Related commands: animo, mosaicadd, mosaicrotaxis, mosaicrotangle, mosaicweight, onescan.

  mosaicadd

  Syntax: mosaicadd mos weight axis angle.
  Actual: show mosaic
  Adds a mosaic to mosaicspectrum.
  • mos the width of the distribution in degrees
  • weight (relative) weight
  • axis rotation axis (in h k l)
  • angle rotation angle in degrees
  Related commands: mosaic, mosaicrotaxis, mosaicrotangle, mosaicweight.

  mosaicinit

  Syntax: mosaicinit.
  Clears the mosaic spectrum. You can fill the spectrum with the commands mosaic, mosaicadd, mosaicweight.

  mosaicrotangle

  Syntax: mosaicrotangleX f.
  Abbreviation: mosrot.
  Actual: show mosaic
  Use X to specify a mosaic number (default=1).
  Sets the number of degrees to rotate a mosaic part.
  mosaicrotangle is a refineable variable.
  Related commands: mosaic, mosaicadd, mosaicrotaxis, mosaicweight, onescan.

  mosaicrotaxis

  Syntax: mosaicrotaxisX h k l.
  Abbreviation: mosax.
  Actual: show mosaic
  Use X to specify a mosaic number (default=1).
  Sets the rotation axis of a mosaic part. The components of the rotation axis are in h k l (with respect to a^*, b^* and c^*)
  Related commands: mosaic, mosaicadd, mosaicrotangle, mosaicweight, vecscan.

  mosaictype

  Syntax: mosaictype block/gauss/lor.
  Default: mosaictype lor.
  Actual: show mosaic
  Sets the mosaic type. Used only in the simulation.
  • block. Mosaic vectors are generated within the limits set by mosaic. (from -mosaic/2 to +mosaic/2)
  • gauss. Mosaic vectors are generated with a gaussian distribution around the central vector. The value of mosaic corresponds to 99% (6 sigma) of this distribution. Some simulated vectors will be outside the value specified by mosaic, and can lie outside the various contours.
  • lor. Mosaic vectors are generated with a lorentz distribution around the central vector. The value of mosaic corresponds to 99 % of this distribution. Some simulated vectors will be outside the value specified by mosaic, and can lie outside the various contours.

  mosaicweight

  Syntax: mosaicweightX f.
  Abbreviation: moswght.
  Default: mosaicweight 1.0.
  Actual: show mosaic
  Use X to specify a mosaic number (default=1).
  Sets the relative weight of mosaicX.
  mosaicweight is a refineable variable.
  Related commands: mosaic, mosaicadd, mosaicrotaxis, mosaicrotangle, onescan.

  msa1

  Syntax: msa1 f.
  Default: msa1 0.0.
  Actual: show simulate
  The standard deviation (σ) of every observed pixel is calculated as:
  σ = √ ( Intensity + (f*Intensity)² + (adcnoise/gain)²)
  Related command: msa2.

  msa2

  Syntax: msa2 f.
  Default: msa2 0.0.
  Actual: show simulate
  The standard deviation (σ) of every model pixel is calculated as:
  σ = √ ( Intensity + (f*Intensity)² + (adcnoise/gain)²)
  Related commands: msa1, weightscheme.

  mu

  Syntax: mu f.
  Default: my -1.
  Actual: show xtal
  If positive, sets the absorption coefficient to f.
  mu is a refineable variable.

  ---

  nbcommonfraction

  Syntax: nbcommonfraction f.
  Default: nbcommonfraction 0.2.
  Actual: show simulate
  If the number of common pixels (shared by the Main and a Neighbour reflection) is less than f*Npix_main, no further effort (for example a covariance test) is done to split or sum this neighbour.
  Related commands: nbcovariance, nboverlapfraction, nbsimfraction, nbvolume.

  nbcovariance

  Syntax: nbcovariance f.
  Default: nbcovariance 0.1.
  Actual: show simulate
  Sets a threshold for the covariance of the intensities of the main and a neighbour reflection. Covariances are only used if lsqtype=svd.
  The final intensities will be summed if:
  1. the neighbour reflection is not too small (see nbvolume)
  2. Npix_common≥nboverlapfraction*Npix_main
  3. or
     • Nsim_nb>nbsimfraction*simulate
     • and |Covariance|>f*Variance_main
     • and Npix_common≥nbcommonfraction*Npix_main
  The relevant covariances will be printed with output lsq full. The complete covariance matrix will be printed with output lsq debug.

  nbdeltaindex

  Syntax: nbdeltaindex n.
  Default: nbdeltaindex 15.
  Actual: show cell
  Potential neighbour reflections will be generated. n is the maximum change for the reflection indices. If nbtype=test, this number is not used.

  nbeffective

  Syntax: nbeffective f.
  Default: nbeffective 0.0.
  Actual: show simulate
  Sets a minimum value to the sum of effective intensities of the simulated rays for neighbour reflections. Only used if nbtype=separate.

  nbexpandhv

  Syntax: nbexpandhv f.
  Default: nbexpandhv 0.5.
  Actual: show simulate
  Interfering reflection, from the same or other lattices, have to be accounted for. Eval15 will first build a reflection list with potential interfering reflections. For this purpose, the dimensions of the box will be expanded. In horizontal and vertical directions using nbexpandhv, and in rotation direction by nbexpandr.
  f is a fraction of the current box dimensions. The box self reaches from 0.0 to 1.0. The expanded box reaches from 0.0-f to 1.0+f. The default value for f is 0.5. A neighbour reflection with its central impact between -0.5 and 1.5 is added to the potential neighbour list.
  The other condition is similarly handled by nbexpandr.

  nbexpandr

  Syntax: nbexpandr f.
  Default: nbexpandr 1.0.
  Actual: show simulate
  See nbexpandhv for an explanation of boxexpansion and neighbour reflections.
  The argument f is a fraction of the total width (number of frames times width of one frame) of the box. The box self reaches from 0.0 to 1.0. The expanded box reaches from 0.0-f to 1.0+f. A value of 0.5 will double the width of the box.
  (In eval15 versions older than 2011021800 f was implicitly fixed to one frame)

  nboverlapfraction

  Syntax: nboverlapfraction f.
  Default: nboverlapfraction 0.9.
  Actual: show simulate
  If the number of common pixels (shared by the Main and a Neighbour reflection) is larger than f*Npix_main, no further effort (for example a covariance test) is done to split this neighbour.
  Related commands: nbcommonfraction, nbcovariance, nbsimfraction, nbvolume.

  nbsimfraction

  Syntax: nbsimfraction f.
  Default: nbsimfraction 0.0.
  Actual: show simulate
  Sets a threshold on the number of impacts for a neighbour reflection.
  • If nbtype=main or nbtype=test the set of simulated rays if the main reflection is applied to every possible neighbour.
  • If nbtype=separate every potential neighbour reflection will be simulated separately.
  If the final number of success-full rays for a potential neighbour is less than f*simulate, that neighbour will not be added to the active neigbour list. (If neighbourtype=separate the acceptance of potential neighbours is also controlled by nbeffective.)
  nbsimfraction is not used for neighbourtype=pointspread.
  Related commands: nbcommonfraction, nbcovariance, nboverlapfraction, nbvolume.

  nbstillfraction

  Syntax: nbstillfraction f.
  Default: nbstillfraction 1e-5.
  Actual: show simulate
  Only used for still data.
  Sets a minimum value to the effective intensity of potential neighbour reflections. This is the effective intensity of the η-impact of that neighbour. If this intensity is less than f that neighbour will be ignored.

  nbtype

  Syntax: nbtype none/main/pointspread/separate/test.
  Default: nbtype main.
  Actual: show cell
  Sets the neighbour type. Neighbours are visible reflections of the main and interfering lattices.
  
  • none.
    No neighbour reflections will be used.
  • main.
    Generate a list of potential neighbours (using nbdeltaindex). After simulation of the main reflection, the simulated impacts of that reflection will be shifted over the difference between the central impacts of the main and neighbour reflection. If the neighbour reflection is accepted (nbsimfraction) the corresponding slice (nbXX) will be pointspreaded separately.
  • pointspread.
    Generate a list of potential neighbours (using nbdeltaindex). After simulation and after the pointspread calculation of the central reflection, the pointspreaded pixels of the central reflection will be shifted over the difference between the central and the neighbour reflection. This is less accurate than nbtype main.
  • separate.
    Generate a list of potential neighbours (using nbdeltaindex). Every potential neighbour will be simulated separately. If the neighbour reflection is accepted (nbsimfraction, nbeffective) the corresponding the corresponding neighbour slice (nbXX) will be pointspreaded separately.
  • test.
    Similar to main, but with a different algorithm to generate potential neighbours.

  nbvolume

  Syntax: nbvolume f.
  Default: nbvolume 0.1.
  Actual: show simulate
  Covariances between the main and a neighbour reflection will only be considered if the number of simulated impacts of the neighbour reflection exceeds f*simulate. Covariances are only used if lsqtype=svd.
  Related commands: nbcommonfraction, nbcovariance, nboverlapfraction, nbsimfraction.

  ncell

  Syntax: ncell n
  Default: ncell 1000
  Sets the crystalyte size to n. The crystalyte size is only used with still-data.
  The effective intensity for every simulated ray is calculated using θ (the Bragg angle), η (90-η is the angle between primary beam and reflection normal) and the crystallyte size ncell:
  

  eps = θ - η
  f = Pi * eps / tan(θ)
  
          sin²(ncell * f)
  Ieff = —————————————————
          sin²(f) * ncell²
  
  

  If sumhkl is on the value of ncell in this formula will be multiplied by the sum of the reflection indecies h, k and l.
  Related commands: framefraction, still, stillframes.

  ndivinner

  Syntax: ndivinner n.
  Default: ndivinner 1.
  Actual: show refine
  Is set to a number larger than 1, inner refinements will be repeated. Every repeated refinement will start by dividing refineshift by 3.0

  ndivouter

  Syntax: ndivouter n.
  Default: ndivouter 1.
  Actual: show refine
  Is set to a number larger than 1, outer refinements will be repeated. Every repeated refinement will start by dividing refineshift by 3.0

  netto

  Syntax: netto
  
  • Mark all pixels outside the main reflection (cutoff) as bad (this changes the respons-slices).
  • For all pixels within the main reflection subtract the background (uses the bg-slices).
  • Store the result back into obs-slices.
  • From these new observed data, calculate the corresponding sigma's. (this changes the obssigma-slices).
  The next command will probably be go.

  newworld

  Syntax: newworld.
  In the xtal-window the scale factors are changed if the xtal drawing would exceed the window. The scale factors are only allowed to increase (i.e. the drawing will decrease only). If you want to reset the scale factors, you can use the command newworld. The scale factors are always reset after the commands model, readcorners, readfaces, readins and xtalscale.

  next

  Syntax: next
  Actual: show box
  Loads the next reflection from a boxfile. The file has to be opened with boxopen or file. The following information will be used:

  boxfile record	Description
  REFL	h,k,l
  IMPACT	hor, ver, rot
  LL	defines the origin of the slices
  BOX	boxsize. Sets boxfixed=on
  SHOE (obsolete)	boxsize. Sets boxfixed=on
  INC	set pixelsize(3)

  
  Related commands: dur, pq, reflnr.

  nmosaic

  Syntax: nmosaic nmos.
  Default: nmosaic 20.
  Actual: show mosaic
  Sets the number of extreme vectors for the mosaicity. The maximum for nmos is 200. Extreme vectors are only used to calculate reflection contours.

  nrefineouter

  Syntax: nrefineouter n.
  Default: nrefineouter 50.
  Actual: show refine
  Set an upper limit to the number of reflections from one boxfile in a refinement using refineouter.

  nop

  Syntax: nop.
  A no-operation. This is an idle command. nop is used to terminate an option list in a multi-command command line.
  Example:
  

  free shextra mosaic go

  
  will trigger a warning/error (go is not an option for the free command).
  The correct syntax is:
  

  free shextra mosaic nop go

  
  The command nop is added to the list of (global) commands only to be able to ignore it.

  noprintcontour

  Syntax: noprintcontour.
  Actual: show print
  Deactivates all printing of contour points. Use printcontour to print contour points.

  normalize

  Syntax: normalize f.
  Default: normalize -1.0.
  Actual: show simulate
  Intensities and sigma's are evaluated with the data as presented in the boxfile. If you want to compare intensities and sigma's for data from boxfiles with different scan-intervals/generator-settings/exposure-times, you may want to use normalize.
  f is the initial scalefactor. The final intensity and sigma will be multiplied with f*Inc/(Time*mA). normalize is only active if f>0.0, and the results will be presented in an extra row in the legenda-window.
  Note: normalize will not affect the data in the y-file.

  nrmat

  Syntax: nrmat n.
  Actual: show cell
  Sets the possible number of matrices. If a matrix is not defined, the first one will be copied.
  This command is used the specify the expected number of lattices, before these lattices are defined (for example via the boxfile). The number of lattices needs to be known if you want to use the splitshift command.

  ---

  obsminfrac

  Syntax: obsminfrac f
  Default: obsminfrac 0
  Actual: show appearance
  obsminfrac is used to increase the minimum value of the pixels in the observed-slices.
  fmin = minimum value
  fmax = maximum value
  range = fmax-fmin
  The pixels will be drawn between fmin+f*range and fmax.
  Related command: scaletype.

  oneframe

  Syntax: oneframe n
  Use only frame n. To select all frames set n to 0. This affects the output of printslices too.

  onerot

  Syntax: onerot time
  Rotate the crystal in the xtal-window 360 degrees in time seconds. The crystal will be rotated around the actual rotation axis.
  Related command: rock.

  onescan

  Syntax: onescan variable delta start stop.
  The value of variable will be changed from start to stop in steps of delta.

  variable	delta	deltamin	minimum	maximum	default start	default end	corresponding command
  animo	0.1	0.0001	0.0	360.0	current-5*delta	start+11*delta	animo
  fdist	10.0	0.0001	0.01	10000	current-5*delta	start+11*delta	focus dist
  fhor	0.01	0.0001	-1.0	1.0	current-5*delta	start+11*delta	focus hor
  fver	0.01	0.0001	-1.0	1.0	current-5*delta	start+11*delta	focus ver
  lambdaX	0.001	0.000001	0.0	10.0	current-5*delta	start+11*delta	lambdavalueX
  lamsigX	0.001	0.000001	0.0	10.0	current-5*delta	start+11*delta	lambdasigmaX
  lamwghtX	0.1	0.0001	0.0	10000.0	current-5*delta	start+11*delta	lambdaweightX
  latt	0.01	0.0001	0.0	1.0	current-5*delta	start+11*delta	latt
  mosaicX	0.1	0.0001	0.0	360.0	current-5*delta	start+11*delta	mosaicX
  moswghtX	1.0	0.0001	0.0	10000.0	current-5*delta	start+11*delta	mosaicweightX
  mosrotX	0.1	0.0001	-180.0	180.0	current-5*delta	start+11*delta	mosaicrotangleX
  mu	0.1	0.0001	0.0	1000.0	current-5*delta	start+11*delta	mu
  pntspr	0.1	0.0001	0.0	100.0	current-5*delta	start+11*delta	pointspreadgamma
  qvech	0.01	0.0001	-10.0	10.0	current-5*delta	start+11*delta	qvec
  qveck	0.01	0.0001	-10.0	10.0	current-5*delta	start+11*delta	qvec
  qvecl	0.01	0.0001	-10.0	10.0	current-5*delta	start+11*delta	qvec
  shrot	0.1	0.000001	-2.0	2.0	current-5*delta	start+11*delta	shrot
  xrot	10.0	0.000001	0.0	360.0	0.0	180	xrot
  xrotx	10.0	0.000001	0.0	360.0	0.0	180	xrotx
  xroty	10.0	0.000001	0.0	360.0	0.0	180	xroty
  xrotz	10.0	0.000001	0.0	360.0	0.0	180	xrotz
  xtalscale	0.1	0.0001	0.0	100.0	current-5*delta	start+11*delta	xtalscale

  X in mosaicX moswghtX mosrotX depends on number of mosaics (see mosaicadd).
  X in lambdaX lamsigX lamwghtX depends on number of wavelength records (see lambdaadd).
  
  For every value of variable the fom (see scanfomtype) is calculated and displayed.
  If distribution type=onerot the fom as function of the selected variable will be plotted.
  Note: the fom can only be calculated if boxdata are available (boxopen or file) and simulate > 0.

  outer

  Syntax: outer variable list.
  Default: outer all variables except shextra.
  Actual: show refine
  Mark the variables in variable list as outer variables. inner and outer variables are used by refineouter
  See the refine page.
  Related commands: inner, refineouter.

  output

  Syntax: output option value
  Default:output all normal
  Actual: show print
  Controls more or less output.
  option is one of all contour cvector focus goniostat impact input lambda lsq misc nb refine refine2 reject simulate view window xtal
  value is on of none normal full debug
  
  

  option	normal	full	debug
  contour	contour dimensions	extremes	plot first and second point
  cvector	hor, ver, hkl,Cdiffr	hkl, C0 and Cdiffr in legenda, duration
  focus	nr of focus points, slit changes	FocusSetup, F0 vector, slit calculations	print focus list
  goniostat		goniostat constants, rotax	rotaxmat
  impact		L0, X0, F0, impact constants	extreme vectors
  input	used records from box and xtalevc files	ignored records from box and xtalevc files
  lambda		LambdaSetup, L0,	print lambda list
  lsq		Coefficients, Overlap handling	print covariance matrix
  misc		walk positions, backgroundnoise, lattice distortion matrices, distribution histograms,limit, store,restore, rmat in status
  nb		possible neighbour reflections	generated neighbour reflections. Applied neighbour shifts for nbtype=main
  refine	error	shifts,Intensity, Sigma, Fom	Extremes
  refine2	error	inner/outer refining	more inner/out refining
  reject		criteria, nr of rejects	printpixel of first 5 rejects
  simulate	Intensity, Sigma, Fom	Statistics	Extremes
  view		viewvec in legenda	all view variables
  window		window changes	screen+windows dimensions
  xtal	ModelSetup, sample information	K0 vector, rotation, cornerlist	rotation matrices, print xtal list

  overflowthreshold

  Syntax: overflowthreshold n.
  Default: overflowthreshold 0.
  Actual: show simulate
  Reflections will be flagged OVERFLOW if the number of overflow pixels inside the reflection (as defined by cutoff) exceeds n.

  ---

  penalty

  Syntax: penalty none/max1box/max1peak/box/peak
  Default: penalty none.
  Actual: show simulate
  The integration procedure (see lsqtype) results in Intensity en sigma. These two values will be multiplied by a penalty factor.

  penalty	factor
  none	1.0
  max1box	square root of χ² of the whole box (see fomtype box) with a minimum of 1.0
  max1peak	square root of χ² of the pixels in the peak (see fomtype peak) with a minimum of 1.0 (pixels in the peak are defined with cutoff)
  box	square root of χ² of the whole box (see fomtype box)
  peak	square root of χ² of the pixels in the peak (see fomtype peak) (pixels in the peak are defined with cutoff)

  pick

  Syntax: pick.
  Allows you to click on one of the subwindows. The output consists of the button, the window number, the window title and the pixel coordinates within the subwindow.
  • If a slice-window is picked, the value of all slicedata for the specific pixel will be printed.
    
  • If a projection window is picked, the corresponding pixel in all the slice windows will be printed.
  • With follow on, the picked window will be zoomed.
  Finish this command with a right-click.
  Related commands: check pixel, follow.

  play

  Syntax: play play command(s)
  More play commands may be entered on one commandline. In that case, you don't have to give the leading 'play' (except the first one, of course).

  • animate

    Syntax: (play) animate
    Start an animation. What variables will change depends on the settings of random anivec, random cvector and random orient. eval15 will run the animation for ever. Use control-c to stop. After each run, eval15 waits delay seconds. If a reflection is incomplete, the delay will be longdelay seconds. Use play walk to create impacts on the whole detector.

  • chi

    Syntax: (play) chi f.
    Default: chi 10.
    Actual: show cvector
    Sets the angle between the c-vector and the plane normal to the rotation axis. The value of chi is overruled by the hkl, hor or ver commands. During animate a value of chi will be generated (given the limitation of thetachilimit ) if random cvector=on. The actual impact depends on the setting of left or right.

  • creep

    Syntax: (play) creep state.
    Default: creep off.
    Actual: show misc
    Controls the scaling of the subwindows.
    • off
      all windows are scaled individually (contours will fill the windows, pixeldimensions will vary).
    • on
      the scale factors will only be allowed to grow. This allows comparison of contours for different settings. (pixelsize will be fixed).
      Note: if boxfixed=on, the subwindow scaling is fixed to the dimensions of boxsize.
      
    Related command: creepinit.

  • creepinit

    Syntax: (play) creepinit
    This command will reset the scale factors. Useful only if creep=on.

  • detectortype

    Syntax: (play) detectortype kccd/mardtb/marccd/euler/adsc.
    Default: detectortype kccd.
    Actual: show detector
    Sets default values for:

    command	kccd	mardtb	marccd	euler	adsc	smart	apex
    goniostattype	kappa	dtb	horax	horax	euler	x8	x8
    focustype (if ignore focus off)	tube	mirror	synchrotron	unknown	synchrotron	tube	tube
    target (if ignore focus off)	Mo	Cu	Cu	Cu	Cu	Cu	Mo
    dethor	34.38	172.5	112.5	105.0	94.0	46.1	30.7
    detver	31.68	172.5	112.5	105.0	94.0	46.1	30.7
    dist	40.0	120.0	120.0	120.0	120.0	140.0	40.0
    goniostat	0.0 0.0 0.0	0.0 0.0 0.0	0.0 0.0 0.0	0.0 0.0 0.0	0.0 0.0 0.0	0.0 0.0 0.0	0.0 0.0 0.0
    pixelsize	0.11	0.15	0.0732	0.05	0.0816	0.09	0.12
    inc	0.5	1.0	1.0	1.0	1.0	0.5	0.5
    step	5.0 5.0	20.0 20.0	20.0 20.0	20.0 20.0	20.0 20.0	5.0 5.0	5.0 5.0
    swing	0.0	0.0	0.0	0.0	0.0	0.0	0.0

  • dethor

    Syntax: (play) dethor x.
    Default: see detectortype.
    Actual: show detector
    Sets the horizontal dimension of the detector-window to 2*x. Use detver for the vertical dimension.

  • detver

    Syntax: (play) detver x.
    Default: see detectortype.
    Actual: show detector
    Sets the vertical dimension of the detector-window to 2*x. Use dethor for the horizontal dimension.

  • euler

    Syntax: (play) euler a a a.
    Actual: show goniostat
    Sets the goniostat angles. The angles are expressed in a eulerian system.

  • goniostat

    Syntax: (play) goniostat a1 a2 a3.
    Default: goniostat 0.0 0.0 0.0.
    Actual: show goniostat
    Sets the goniostat angles. For a kappaCCD the angles are omega, kappa and phi. For a mardtb the angles are omega, chi and phi.
    The goniostat angles are used to transform the orientation matrix (defined with rmat) from the zero position to the goniostat position. This transformed orientation matrix is used to calculate the impact with the hkl command. The goniostat angles are also used to bring the goniometer head (and thus the crystal) in the goniostat position.
    Related command: euler.

  • hor

    Syntax: (play) hor hormm.
    Actual: show cvector
    Sets the horizontal impact to hormm. Use ver to set the vertical impact. The c-vector will be calculated from the impact position and the value of left or right will be set. The rotation angle of the impact vector will be set to zero, unless cvectorrot is set to on. The c-vector thus calculated will be overwritten by succeeding chi, phi, theta, hkl or next commands.

  • left

    Syntax: (play) left.
    Actual: show cvector
    Forces a left impact. During animate 50% of the reflections will be set to left and 50% will be set to right. Note: after a hor or ver command, the value of left or right will be overruled.
    Related command: right.

  • phi

    Syntax: (play) phi f.
    Default: phi 10.0.
    Actual: show cvector
    Used to calculate the c-vector. The length of the c-vector is calculated from the wavelength and theta. Then the c-vector is aligned along to X-axis, rotated chi degrees around Y and then rotated phi degrees around Z. In the end, the c-vector will be brought into diffracting position (by rotation around Z) so the phi angle seems unnecessary. The final rotation around Z will also rotate the xtal (causing different results if the xtal vector is nonzero).
    The value of phi is overruled by the hkl, hor or ver commands. During animate command a value of phi will be generated if random cvector=on. The actual impact depends on the setting of left or right.

  • pixelsize

    Syntax: (play) pixelsize hor ver rot.
    Default: see detectortype.
    Actual: show detector
    Sets the pixelsize to hor and ver mm. The frame width will be set to rot degrees. In the FLXM-window a grid is drawn using the values of pixelsize. Use draw grid to control the drawing of the grid.
    If data are read from a boxfile (see boxopen or file), pixelsize will be set using the data in the boxfile.

  • random

    Syntax: (play) random anivec/cvector/orient/test.
    

    • random anivec

      Syntax: (play) random anivec state.
      Default: random anivec on.
      Actual: show animate
      Only used after the animate command. If random anivec=on every reflection will get a different anivector. If animo is set to 0.0 the choice of the random anivec has no influence.

    • random cvector

      Syntax: (play) random cvector state.
      Default: random cvector on.
      Actual: show animate
      Only used during animate. If random cvector=on c-vectors will be generated by changing theta (between the limits thmin and thmax), chi and phi. A reflection is only allowed if theta+abs(chi)+mosaic+animo does not exceed the value of thetachilimit.

    • random orient

      Syntax: (play) random orient state.
      Default: random orient on.
      Actual: show animate
      Only used during animate. If random orient=on random directions will be generated for xtalax and the xtal will be rotated around this axes with an amount of xtalrot (random between 0.0 and 90.0) degrees.

    • random test

      Syntax: (play) random test seed n.
      Run the random generator n times.

  • right

    Syntax: (play) right
    Actual: show misc
    Forces a right impact. During animate 50% of the reflections will be set to left and 50% will be set to right. Note: after a hor or ver command, the value of left or right will be overruled.
    Related command: left.

  • step

    Syntax: (play) step hor ver.
    Default: see detectortype.
    Actual: show animate
    Sets the stepsize for the walk command.

  • theta

    Syntax: (play) theta th.
    Default: theta 10.
    Actual: show cvector
    Sets theta for a reflection. th has to lie between the limits set by thmin and thmax. The value of theta is overruled by the hkl, hor or ver commands. During animate a value of theta will be generated (given the limitation of thetachilimit ) if random cvector=on. The actual impact depends on the setting of left or right.

  • thetachilimit

    Syntax: (play) thetachilimit lim.
    Actual: show cvector
    Default: thetachilimit 90.
    If c-vectors are randomly generated, they are only used if theta+abs(chi)+mosaic+animo<thetachilimit.

  • thmax

    Syntax: (play) thmax f.
    Default: thmax 31.
    Actual: show cvector
    Sets the maximum theta to f. thmax is used by the command theta and during the generation of c-vectors if random cvector is on.

  • thmin

    Syntax: (play) thmin f.
    Default: thmin 1.
    Actual: show cvector
    Sets the minmum theta to f. thmin is used by the command theta and during the generation of c-vectors if random cvector is on.

  • ver

    Syntax: (play) ver vermm.
    Actual: show cvector
    Sets the vertical impact to vermm. Use hor to set the horizontal impact. The c-vector will be calculated from the impact position and the value of left or right will be set. The rotation angle of the impact vector will be set to zero, unless cvectorrot is set to on. The c-vector thus calculated will be overwritten by succeeding chi, phi, theta or hkl commands.

  • walk

    Syntax: (play) walk
    Create impacts on the whole detector with stepsize set by the step command. The type of walk can be set with the walktype command. After each point, eval15 waits delay seconds. If a reflection is incomplete, the delay will be longdelay seconds. The rotation angle of the impact vector will be set to zero, unless cvectorrot is set to on.

  • walktype

    Syntax: (play) walktype zigzag/spiral
    Default: walktype spiral
    Actual: show animate
    Sets the walktype for the walk command. Two types are available:

    zigzag

    Start at lower left, go up, one right, down etc....

    spiral

    Start at 0.5*stephor and walk around the impact of the primary beam until the whole detector has been scanned.

  plot

  Syntax: plot.
  Plots the xtal in the xtal-window. The c-vector and crystal will be brought into diffracting position. The viewvector is controlled by the commands view and viewrot.
  Related commands: diffracpos, newworld, plot0, plot000, plotrot.

  plot0

  Syntax: plot0.
  Plots the xtal in the xtal-window. The c-vector and crystal are rotated to the goniostat position (with rotation angle=0). The viewvector is controlled by the commands view and viewrot.
  Related commands: diffracpos, newworld, plot, plot000, plotrot.

  plot000

  Syntax: plot000.
  Plots the xtal in the xtal-window. The c-vector will be in the initial position (all goniostat angles are zero). The viewvector is controlled by the commands view and viewrot.
  Related commands: diffracpos, newworld, plot, plot0, plotrot.

  plotrot

  Syntax: plotrot a.
  Plots the xtal in the xtal-window. The c-vector and crystal will be rotated to the goniostat position (with rotation angle=a). plotrot 0 has the same effect as plot0. If a is the actual rotation angle, plotrot a has the same effect as plot. The viewvector is controlled by the commands view and viewrot.
  Related commands: diffracpos, newworld, plot, plot0, plot000.

  pointspreadgammma

  Syntax: pointspreadgamma gamma
  Abbreviation: pntspr.
  Default: pointspreadgamma 0.8.
  Actual: show pointspread
  The value of pointspreadgamma is only used if pointspreadtype = lor. More information on the pointspread page.
  The refineable variable pntspr corresponds to pointspreadgamma.
  Related command: onescan.

  pointspreadmoment

  Syntax: pointspreadmoment pixel/impact
  Default: pointspreadmoment pixel.
  Actual: show pointspread
  Pointspread can be applied at two moments in the simulation.
  • pixel. All impacts are summed up in the simulated-slices. Then, for each pixel in the simulated-slices, the point spread is applied and thus the pointspread-slices are filled.
  • impact. The pointspread for every simulated impact is applied during the summation to the simulated-slices. In this case the simulated and pointspread slices are filled simultaneously. Note: this is a CPU-expensive method.
  More information on the pointspread page.
  The refineable variable pntspr corresponds to pointspreadgamma.

  pointspreadthreshold

  Syntax: pointspreadthreshold f
  Default: pointspreadthreshold 0.0.
  Actual: show pointspread
  If you want to speed up the pointspread process, you may consider to increase f. More information on the pointspread page.

  pointspreadtype

  Syntax: pointspreadtype none/lor
  Default: pointspreadtype lor.
  Actual: show pointspread
  Sets the pointspreadtype for simulated impacts. If set to lor, every (simulated) impact will spread out over the neighbouring pixels with a Lorentz function. The lorentz function can be set with pointspreadgamma. More information on the pointspread page.

  polarisation

  Syntax: polarisation type [weakstrong]
  Actual: show polarisation
  The default value is read from the boxfile.
  Sets the polarisation. The weakstrong argument is needed for polarisation types synchrotron, synchrotronz and osmic.
  Two axes are needed for the polarisation: PN1 and PN2.
  PN2 is the vector product of x-axis and PN1.

  type	PN1	PN2	default weakstrong	polarisation
  perpendicular	z-axis	-y-axis	cos(2Θmonochr)² (graphite) Cu=0.80612 Mo=0.95706 Ag=0.97315	1/(1+weakstrong)
  antiparallel	y-axis	z-axis
  parallel	y-axis	z-axis
  synchrotron	y-axis	z-axis	0.05/(1-0.05)=0.0526;
  synchrotronz	z-axis	-y-axis	0.05/(1-0.05)=0.0526;
  none	y-axis	z-axis	1.0
  osmic	y-axis	z-axis	1.0

  s1 = (outray·PN1)
  s2 = (outray·PN2)
  pol = 1.0 - (polarisation*s1² + (1-polarisation)*s2²)
  

  
  polarisation sets ignore polarisation on.

  pq

  Syntax: pqXX
  Default: pq10.
  Skip reflections until I/σ exceeds XX. Reflections with some error flag (for example overlap, overflow, edge, respons) will be skipped too.
  Only useful while reading reflections from a file (thus after boxopen or file)
  Related commands: dur, next, reflnr.

  printcontour

  Syntax: printcontour proj window state.
  The coordinates of every contour can be printed to the screen. The default is off for all.

  proj	description
  1	Hor-Ver
  2	Rot-Ver
  3	Hor-Rot
  window	description
  1	FLX
  2	M
  3	FLXM

  Use noprintcontour to disable printing of all the contours.

  printextreme

  Syntax: printextreme type(s) state.
  Default: printextreme all off.
  Actual: show print
  Prints the extreme vectors. Extreme vectors are only used to calculate reflection contours.
  List of types.

  printframes

  Syntax: printframes n
  Default: printframes -1.
  Actual: show print
  If set to a positive value, the n'th frame of all available slicetypes will be printed.
  Related commands: printslicelimit, printslices, slicefactor.

  printprojection

  Syntax: printprojection state.
  Default: printprojection off.
  Actual: show print
  After a simulation the projection maps will be plotted in the projection-window. If printprojection is set to on, the projection maps will also be printed.
  Related command: projection.

  printposmin

  Syntax: printposmin slicetype(s) state
  Default: printposmin all off
  If print some numbers on the specified slices.
  • frame the frame number
  • minimum minimum value
  • maximum maximum value
  • nneg number of pixels with a value less than zero
  • sumneg the sum of all negative pixels
  • meanneg the mean value of the negative pixels
  • nzero the number of pixels with a zero value
  • npos the number if pixls with a value large than zero
  • sumpos the the sum of all positive pixels
  • meanpos the mean value of the positive pixels
  • npix the total number of pixels
  • sum the sum of all pixels
  • mean the mean value of all pixels
  
  Related command: printslices.

  printsliceframe

  Syntax: printsliceframe n
  Default: printsliceframe 0
  Limits the amount of output of the printslices command. If 0, all slices will be printed. Any other number will only print slice n.

  printslicelimit

  Syntax: printslicelimit lx hx ly hy
  Limits the amount of output of the commands: printslices and printframes. Normally, the whole slice will be printed. With printslicelimit you can select a part of the slice with the lower left and upper right specification. The default is to print the whole slice.

  printslices

  Syntax: printslices slicetype(s) state
  Default: printslices all off.
  Actual: show print
  After a simulation the slices will be plotted in the slices-windows. If printslices of a slicetype is set to on, the selected slices will be printed. The number of printed slices can be limited with printsliceframe.
  Related command: printposmin. Before printing, the values of the slices will be rounded to the nearest integer to limit the large amount of data. You may want to use slicefactor to multiply the values before rounding.
  Related commands: printframes, printsliceframe, printslicelimit, slicefactor.
  List of slicetypes.

  printxtalsample

  Syntax: printxtalsample state.
  Default: printxtalsample off.
  Actual: show print
  Before the simulation, the xtal will be sampled to improve performance. (This sampling has to be done only once, except if you change the cystal model). If printxtalsample=on all these sample points will be printed. printxtalsample can generate a lot of output (the number of sample points depends on the value of xtalsamplesize. The maximum number of sample points is 500,000.) If xtalsamplesize is set to a (very) low value, the reslt will be a lot of sample points.

  projection

  Syntax: projection slicetype.
  Default: projection simulated.
  Actual: show appearance
  Sets one of the slices as the data source of the projection-windows
  Related command: printprojection.

  ps

  Syntax: ps window filename.
  A hardcopy of one of the windows will be written to filename. The format of the hardcopy file is determined by filename.
  Examples:

   ps main hard.ps
   ps main hard.jpg
  

  window	extra	description
  main		The whole window
  contour	rot-ver/hor-ver/hor-rot flx/mn/flxmn/sim	one of the 12 contour-windows
  xtal		xtal-window
  detector	cross/nocross	detector-window
  sample		sample-window
  ray		ray-window
  legenda		legenda-window
  slice	row(1-5) column(1-nframe)	one of the slice-windows
  distribution		distribution plot-window
  zoom		zoom-window

  

  ---

  else if(d.eq.'qhor'.or.d.eq.'qver'.or.d.eq.'qrot') then ! command

  qhor

  Syntax: qhor f.
  Default: qhor 0.0
  Sets the horizontal component of the qshift vector.

  qrefine

  Syntax: qrefine state.
  Default: qrefine off
  If qvectors are available, and qrefine=on, and the reflection under investigation is a satellite reflection, the position of the central reflection will be refined. After a normal refinement, the variable qshift will be activated for this reflection.

  qrot

  Syntax: qrot a.
  Default: qrot 0.0
  Sets the rotational component of the qshift vector.

  qshift

  Syntax: qshift hor ver rot.
  Default: qshift 0 0 0.
  Only used if qvectors are available.
  Defines an extra shiftvector for satellite reflections. The final impact for satellite reflections is the sum of shinit, shextra and qshift.
  qshift can be refined using qrefine.

  qvec

  Syntax: qvec fh fk fl.
  Actual: show cell
  Change the coefficients of the qvector.
  A valid rmatrix is needed. A valid rmatrix can be loaded with the rmat command, or by reading a reflection (file or boxopen).
  Changing the qvector implies ignore rmat on.

  qver

  Syntax: qhor f.
  Default: qver 0.0
  Sets the vertical component of the qshift vector.

  ---

  randomcache

  Syntax: randomcache state.
  Default: randomcache off.
  Actual: show simulate
  Store the random values in a Cache array. This is for testing purposes only. The idea is to speed up the simulation. Not fully tested.

  randominit

  Syntax: randominit state.
  Default: randominit on.
  Actual: show simulate
  If the random generator is used (see animate or simulate) every invocation of go will use new random values. If randominit=on the randomgenerator will be initialized before every go. This can be useful if you want to reproduce previous runs.

  randomseed

  Syntax: randomseed seed.
  Default: random seed 12345.
  Actual: show simulate
  Sets the seed of the random generator.

  read

  Syntax: read nr/name reflnr.
  Actual: show box
  Opens a new boxfile using boxopen and load reflection reflnr.
  If the first argument is not a boxfilename but an integer number, the nr'th boxfile will be opened. The second argument is the reflection number within the new boxfile. read is an alias for file.
  Related commands: autofirst, boxnext, boxopen, reflnr.

  readcorners

  Syntax: readcorners filename.
  Builds a xtal model by reading the corner coordinates from filename. The value of xtalscale is not used to scale the model.
  Related commands: model, readfaces, readins.

  readdetalign

  Syntax: readdetalign filename.
  Actual: show detector
  Read the detector alignment from filename. The value of DETZEROX will be used to correct the value of the detector distance. The values of DETZEROY and DETZEROZ will be used to change the first two arguments of the IMPACT record in a boxfile.

  readfaces

  Syntax: readfaces filename.
  Adds faces from filename. The file consists of records. Every record constains a facenormal vector (in laboratory coordinates) and a distance. The distance will be multiplied by xtalscale.
  Related commands: model, readcorners, readins.

  readfcalc

  Syntax: readfcalc scale filename.
  Reads F_calc for all reflections from filename using format (3i4,f8.2). These values are squared to convert them to intensities, and multiplied by scale. The intensities can be used to overrule the least-squares fitted intensities (see changecoef.

  readicalc

  Syntax: readicalc scale filename.
  Reads I_calc for all reflections from filename using format (3i4,f8.2). These values are multiplied by scale. The intensities can be used to overrule the least-squares fitted intensities (see changecoef.

  readins

  Syntax: readins filename.
  Reads the cell parameters and xtal description from filename. Records used from filename are:

  key	description
  CELL	wavelength and cell parameters
  FACE	h,k,l and distance

  The distance will be multiplied by xtalscale. If an rmat file with the same name as filename is found, it will also be read (see rmat).
  Related commands: model, readcorners, readfaces.

  refine

  Syntax: refine.
  Start a refinement. The refinement procedure minimizes the difference between the observed data and the simulated profiles (see fomtype). These differences are plotted in the last row of the slice-windows (see diffscale).
  Use free to allow variables to refine. Use fix to fix variables.
  The refinement procedure uses a simplex method. The initial changes in the variables can be changed with refineshift. If ndivinner>1, the refinement will be repeated with smaller refineshifts.
  See the refine page and the go/refine sequence of events.
  Related commands: dump, fix, fomtype, force, free, lock, ndivinner, refinebox, refinefile, refineouter, refineshift, refinestatus, refinetol.

  refinebox

  Syntax: refinebox boxfile.
  refine a whole boxfile. The free set of variables will be refined for all reflections in the file. In the end this will result in one set of refined variables.
  Related commands: boxscan, onescan, refine, refinefile, refineouter.

  refinefile

  Syntax: refinefile boxfile.
  Refine the free set of variables for every reflection in the file. The refined values will be different for every reflection. In the end this will result in a list of averaged fom's (see fomtype).
  Example: try to find the best lambdavalue3
  

  fix all
  free shextra
  lambdavalue3 0.705 refinefile subset
  lambdavalue3 0.710 refinefile subset
  lambdavalue3 0.715 refinefile subset
  

  
  Every reflection is allowed to shift (due to free shextra).
  The fom versus reflection number will be plotted if distribution type = box.
  Related commands: boxscan, refine, refinebox, refineouter.

  refineouter

  Syntax: refineouter boxfile.
  Refine the free set of variables on the first nrefineouter reflections of boxfile.
  Some variables will be refined as in an outer loop (same value for all reflections) and some variables will be refined in an inner loop (individual refinement for every reflection).
  An outer refinement will be done on all free variables marked outer. Every step in this refinement processes the first nrefineouter of reflections in the boxfile. These reflections will be refined in an inner refinement, using the free variables marked inner. If ndivouter>1, the outer refinement will be repeated with smaller refineshifts. In the end this will result in a list of averaged fom's (see fomtype).
  Example: try to find the best mosaic and pointspreadgamma combination for the first 40 reflections in a file, while allowing the reflections to shift to their best position:
  

  fix all
  free mosaic pntspr shextra
  refinetol 0.01
  refinetol2 0.001
  inner shextra
  outer mosaic pntspr
  nrefineouter 40
  refineouter subset
  

  
  Notes:
  • refinetol 0.01
    Set a relative weak criterium on the inner loop. We are not interested in very accurate intensities but only in a rather correct position of the profile. This can save some cputime.
  • inner shextra
    All shift variables (shextra,shhor,shver,shrot) are inner variables by default.
  • outer mosaic pntspr
    All non-shift variables are outer variables by default.
  
  Related commands: boxscan, refine, refinebox. refinefile.

  refineshift

  Syntax: refineshift variable f.
  Actual: (output refine full) refinestatus
  Sets the initial shift for variable to f. Used by refine, refinebox and refinefile and refineouter. The defaults can be displayed by dump.
  See the refine page.

  refinestatus

  Syntax: refinestatus.
  Prints the initial and refined values of the last set of refined variables.

  refinetol

  Syntax: refinetol f.
  Default: refinetol 0.001.
  Actual: show refine
  Sets the finish criterium for refine.
  • refinetypeinner = amoeba or amoebaacentric
    Fom_min is the smallest fom of the simplex; Fom_max is the largest fom.
    Refinement stops if:
    2 * (Fom_max-Fom_min)/( | Fom_max | + | Fom_min | ) <f
    A typical value for amoeba refinement is 0.001
  • refinetypeinner = brent
    A typical value for brent refinement is 0.1
  • refinetypeinner = parabolic
    refinetol is not used.
  • refinetypeinner = gravity
    refinetol is not used. The number of refine steps is set with gravitycycles
  
  Related commands: fomtype, refine, refinebox, refinefile, refinetol2.

  refinetol2

  Syntax: refinetol2 f.
  Default: refinetol2 0.001.
  Actual: show refine
  Sets the finish criterium for refineouter. The definition is similar to refinetol. refinetol2 is used to stop the outer refinement loop, while refinetol controls the inner loop.
  Related commands: refinepouter, refinetol.

  refinetypeinner

  Syntax: refinetypeinner amoeba/amoebaacentric/brent/gravity/parabolic.
  Default: refinetypeinner amoeba.
  Actual: show refine
  Sets the refinement strategy for refine.
  • amoeba. Simplex refinement. The initial setup of the simplex uses refineshift. Averaging all points of the initial simplex leads to the current value(s). You may want to increase ndivinner to repeat the inner refinement.
  • amoebaacentric. Simplex refinement. The initial setup of the simplex uses refineshift. The current values are the first (corner) point of the simplex. You may want to increase ndivinner to repeat the inner refinement.
  • brent. The free variables are refined one by one, using a mixture of golden section search and parabolic interpolation.
  • gravity. Only useable for refining shextra. In every cycle, the difference between GravityObs and GravityCalc is added to shextra. The number of cycles can be set with gravitycycles.
  • parabolic. The free variables are calculated one by one using a simple parabolic interpolation. This type of refinement is not repeated until some tolerance has been reached. Repeat the refine command, or consider the use of ndivinner to reach conversion.

  refinetypeouter

  Syntax: refinetypeouter amoeba/amoebaacentric/brent/gravity/parabolic.
  Default: refinetypeouter amoeba.
  Actual: show refine
  Sets the refinement strategy for refineouter. See the description of refinetypeinner.

  refinewrite

  Syntax: refinewrite filename.
  Default: refinewrite refined.pic.
  Write refined variables to filename.

  reflnr

  Syntax: reflnr n.
  Actual: show misc
  Loads the n'th reflection from a boxfile. The file has to be opened with boxopen or file.
  Related commands: dur, next, pq.

  reject

  Syntax: reject f.
  Default: reject -1.
  Actual: show simulate
  If f is a positive number, pixels with too large differences between observed and calculated intensity will be rejected. The definition of too large depends on f, Fom_peak and Fom_box:
  • Pixels inside the peak (as defined by cutoff) are rejected if |I_obs-I_calc| > f*Fom_peak*σ_model
    
  • Pixels outside the peak (as defined by cutoff) are rejected if |I_obs-I_calc| > f*Fom_box*σ_model
    

  reset

  Syntax: reset
  Resets all variables back to their defaults. Resets all process variables to their defaults. These defaults are the initial default values, or the ones when markdefault was issued.

  responsfraction

  Syntax: responsfraction f.
  Default: responsfraction 0.01.
  Actual: show simulate
  If, during the simulation, an impact falls inside a badrespons pixel, this impact is marked as badrespons. If the fraction of badrespons impacts exceeds f, the reflection will be flagged BADUNIFORMITY in the corresponding yfile. These reflection will not be refined. The screen output is explained in the statistics page.
  Related commands: edgefraction, framefraction.

  restore

  Syntax: restore name.
  Restores variables from a saved set. Sets can be created with the store command. The sets init (after a reflection has been read) and last (before refinement) are also available. Type ? for name to get a list of store sets with their corresponding foms. Use storestatus to inspect the refined values of a stored set.

  rmat

  Syntax: rmat filename
  Actual: show cell
  Reads the orientation matrix from filename. The format of the rmatfile is described here. The orientation matrix is used to calculate impacts from reflection indices (see hkl). Use goniostat to transform the orientation matrix to the goniostat position.
  You may append a matrixnumber to the rmat command (for example rmat2) to define an interfering lattice.
  Some rmat files are automatically read when a boxfile has been opened.
  rmat sets ignore rmat on. rmatX (X>1) sets ignore twinmat on.
  Related commands: boxopen, centraloverlap.

  rock

  Syntax: rock time
  Rotates the crystal 5 degrees forward, then 10 degrees back, then 5 degrees forward in time seconds. The crystal will be rotated around the actual rotation axis.
  Related command: onerot.

  rotatermat

  Syntax: rotatermat f
  Actual: show cell
  If set to a positive value, every orientation matrix (from a boxfile or via rmat) will be rotated around a random axis over f degrees.

  rotaxnr

  Syntax: rotaxnr n
  Actual: show simulate
  Actual: show goniostat
  Sets the rotax number (1=omega, 3=phi).

  ---

  sampleplot

  Syntax: sampleplot beam/edge/focus/inray/mosaic/outray/ray/xtal state
  Default: sampleplot all off
  Actual: show appearance
  Controls the plotting of xtal/focus sample points and in- and outrays

  • sampleplot beam

    If on a virtual grid is set up perpendicular to the primary beam at x=beampos. The grid consists of beamgridsizexbeamgridsize pixels. The pixel dimension is beampixelsize. The points where the incoming rays (with a divergence less than divmax) hit this virtual grid will be plotted in the sample-window with the dotsize set by sampleplotdotsize.
    The colour depends on:
    • impactcolourtype focushor: the colour varies with the horizontal focus value
    • impactcolourtype focusver: the colour varies with the vertical focus value
    • otherwise: colour xtal
    These rays are also summed up in the grid. At the end of a simulation the virtual grid is printed.
    • If draw beamprofilehor is on, a horizontal profile of the beam will be drawn in colour profile. A gaussian will be fitted onto this profile. The resulting parameters (Scale, Mean, Sigma, Baseline and FWHM) will be printed. The fitted profile and the FWHM will be plotted with colour profilefit.
    • If draw beamprofilever is on, a vertical profile of the beam will be drawn in colour profile. A gaussian will be fitted onto this profile. The resulting parameters (Scale, Mean, Sigma, Baseline and FWHM) will be printed. The fitted profile and the FWHM will be plotted with colour profilefit.
    sampleplot beam on sets sampleplot focus off and sampleplot mosaic off.
    See the beam page.

  • sampleplot edge

    If on both the intersection of the inray (lines from focus to crystal) and the crystal as the intersection of the outray (lines from crystal to detector) and the crystal will be drawn in the xtal-window. The colours can be set with colour xtalin and colour xtalout.

  • sampleplot focus

    If on the sampled focus points will be plotted in the sample-window with the dotsize set by sampleplotdotsize. The scaling of this window can be set with sampleplotscale.
    The colour depends on:
    • impactcolourtype focushor: if the divergence < divmax the colour varies with the horizontal focus value, otherwise the point is not plotted.
    • impactcolourtype focusver: if the divergence < divmax the colour varies with the vertical focus value, otherwise the point is not plotted.
    • otherwise: the colour depends on the divergence of the inray: colour xtal if divergence < divmax, else colour focus.
    sampleplot focus on sets sampleplot beam off and sampleplot mosaic off.

  • sampleplot inpath

    If on the part of the inray wiithin the cryrstal will be drawn in the xtal-window with colour xtalin. Use window xtalmin to change the scale of the xtal-window. You may want to change the view point in the xtal-window with view.
    sampleplot inpath on will set sampleplot xtal on and sampleplot edge on.

  • sampleplot inray

    If on the inrays (lines from focus to crystal) will be drawn in the xtal-window. The colour follows impactcolourtype. If the divergence exceeds divmax no line will be plotted. Use window xtalmin to change the scale of the xtal-window. You may want to change the view point in the xtal-window with view.
    sampleplot inray on will set sampleplot xtal on.

  • sampleplot mosaic

    If on the simulated c-vectors will be drawn in the sample-window. The view in this window is along the central c-vector. The (projection) of the Xray-source is along the horizontal line through the center of the picture. All simulated mosaic vectors are drawn in a stereographics projection. (If multiple mosic blocks are defines, you may wish to set sampleplotcolourtype mosaic).
    sampleplot mosaic on sets sampleplot beam off and sampleplot focus off.

  • sampleplot outpath

    If on the part of the outray within the crystal will be drawn in the xtal-window with colour xtalout. Use window xtalmin to change the scale of the xtal-window. You may want to change the view point in the xtal-window with view.
    sampleplot outpath on will set sampleplot xtal on and sampleplot edge on.

  • sampleplot outray

    If on the outrays (lines from crystal to detector) will be drawn in the xtal-window. (You may want to draw the detector in the same window with xtalplot detector=on) The colour follows impactcolourtype. If the divergence exceeds divmax no line will be plotted. Use window xtalmin to change the scale of the xtal-window. You may want to change the view point in the xtal-window with view.
    sampleplot outray on will set sampleplot xtal on.

  • sampleplot ray

    If on the simulated c-vectors will be drawn in the ray-window with the dotsize set by sampleplotdotsize.
    • The view in this window is along the rotation axis.
    • The (projection) of the Xray-source is along the horizontal line through the center of the picture.
    • All simulated inrays, mosaic vectors and outrays are drawn in a stereographic projection.
    • The colour for the simulated mosaic vectors is set by sampleplotcolourtype.
    • All inrays and outrays are drawn in colour focus.
    • The c-vectors in diffracting position are drawn in colour contour.

  • sampleplot xtal

    If on the sampled crystal points will be plotted in the xtal-window with the dotsize set by sampleplotdotsize. The colour depends on:
    • impactcolourtype alpha or impactcolourtype lambda: The colour depends on the divergence of the inray: colour xtal if divergence < divmax, otherwise colour focus.
    • impactcolourtype focushor
      If the divergence < divmax the colour varies with the horizontal focus value, otherwise the point is not plotted.
    • impactcolourtype focusver
      If the divergence < divmax the colour varies with the vertical focus value, otherwise the point is not plotted.

  sampleplotcolourtype

  Syntax: sampleplotcolourtype alpha/effective/focushor/focusver/lambda/mosaic.
  Default: sampleplotcolourtype alpha.
  Actual: show appearance
  Sets the colour for sampleplots in the detector- and/or crystal window. The selected colourtype is similar to impactcolourtype.

  sampleplotdotsize

  Syntax: sampleplotdotsize n.
  Default: sampleplotdotsize 1.
  Actual: show appearance
  Sets the dotsize for sampleplot focus/xtal.

  sampleplotfloor

  Syntax: sampleplotfloor f.
  Default: sampleplotfloor 0.1.
  Actual: show appearance
  Used only if impactcolourtype is not effective. Individual impacts are drawn only if the effective intensity of that ray exceeds f. Note: the impacts are drawn only if impactrow is nonzero.

  sampleplotscale

  Syntax: sampleplotscale f.
  Default: sampleplotscale -1.0.
  Actual: show appearance
  Sets the scale of the sampleplot window. Only used with sampleplot focus. If negative, a scale is calculated to fill the window. A positive value sets the the window scaling from -f to f. This can be useful to monitor the progress of a onescan fhor command.

  save

  Syntax: save absorb/changed/config/corners/lambda/focus/mosaic/process/spectrum filename.
  Syntax: saveappend config/focus/lambda/mosaic/process/spectrum filename.
  Writes variables to filename. If saveappend is used, the variables are appended to an existing file. save changed will always tru to append.
  • save absorb absorb.ins
    Write the crystal model to filename. The file can be used later to restore the settings with readins filename.
  • save changed extra.pic
    Append variables which have been changed since the last call to markdefault to filename. (See show changed)
  • save config eval15.sav
    Write or append all parameters to filename. The file can be used later to restore the settings with the command @filename.
  • save corners xtal.xyz
    Saves the crystal model to filename. The file can be used later to restore the settings with readcorners filename.
  • save focus focus.pic
    Write or append the focus parameters to filename.
  • save lambda spectrum.pic
    (alias for save spectrum). Write or append spectrum parameters to filename. The file can be used later to restore the settings with the command @filename.
  • save mosaic mosaic.pic
    Write or append the mosaic parameters to filename.
  • save process process.pic
    Write or append all process variables to a file. (See show process)
  • save spectrum spectrum.pic
    Write or append spectrum parameters to filename. The file can be used later to restore the settings with the command @filename.

  savemeanshift

  Syntax: savemeanshift state.
  Default: savemeanshift on.
  Actual: show box
  Only used in batch mode. If set to on, and the number of shifted reflections exceeds savemeanshiftfloor, the mean shifts will be written to a corresponding .evc file.
  Note: a shifted reflection will only have a contribution to the average shifts if ShiftRestFrac exceeds shiftrestfracmin. You may want to split the detector area into sectors with shiftgrid.

  savemeanshiftfloor

  Syntax: savemeanshiftfloor n.
  Default: savemeanshiftfloor 20.
  Actual: show box
  Only used in batch mode. Set the minimum number of refined reflections for savemeanshift.

  scaletype

  Syntax: scaletype lin/log/square.
  Default: scaletype log.
  Actual: show appearance
  Sets the colour scheme for the slices drawn in pixel mode (see link).
  • lin. Linear levels
  • log. Logarithmic levels
  • square. Quadratic levels
  Diff-slices are always drawn in linear mode.
  Related command: obsminfrac.

  scanfomtype

  Syntax: scanfomtype box/peak/bg.
  Default: scanfomtype box.
  Actual: show refine
  The commands onescan, boxscan and vecscan search for the minimum of a figure of merit, describing the fit between observed and calculated data. Use scanfomtype to select the type of fom. See the explanation of fomtype.

  searchanivec

  Not documented yet.

  sensordepth

  Syntax: sensordepth f.
  Default: sensordepth 0.0.
  Actual: show detector
  The detector distance for each simulation is calculated as:
  simdist = dist + (rnd-sensoroffset)*f
  where rnd is a random number between 0 and 1.

  sensoroffset

  Syntax: sensoroffset f.
  Default: sensoroffset 0.0.
  Actual: show detector
  Sets the offset of the sensordepth

  shextra

  Syntax: shextraX hor ver rot.
  Default: shextra 0 0 0.
  Actual: show box
  Defines an extra shiftvector for lattice X (default X=1). The final impact of a reflection is the sum of the simulated impact position plus the initial shift (shinit) plus the extra shift. Use shextra to set this extra shift. A refinement will overwrite the extra shift.
  shextra will also be set by shextra from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  shextra is a refineable variable.
  Related commands: shinit, shiftrmat, splitshift.

  shhor

  Syntax: shhorX hor.
  Default: shhor 0.
  Actual: show box
  Defines the initial horizontal shift for lattice X (default X=1). This shift (and also exhor) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
  shhor will also be set by shiftinit from xtal.evc, boxfile.evc (see boxopen and loadxtalevc) and by shinit from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  Related commands: exhor, exrot, exver, shextra, shextra, shiftrmat, shinit, shrot, shver, splitshift.

  shift

  Syntax: shift none.
  Equivalent to fix shift.
  The program evalall will use this command to disable shifts.

  shiftgrid

  Syntax: shiftgrid n.
  Default: shiftgrid 1.
  Divide the detector in nxn sectors. The maximum value for n=5. Each of these sectors can be given a specific initial shift (see shinitsector). The average shifts will be calculated for every sector.
  Related command: savemeanshift.

  shiftrestfracmin

  Syntax: shiftrestfracmin f.
  Default: shiftrestfracmin 0.0
  Actual: show refine
  As part of the profile analysis the number of simulated impacts per frame is counted. ShiftHighestFrac is the fraction of impacts for the frame with the highest number of impacts. ShiftRestFrac is the fraction of the sum of impacts in the remaining frames. Both numbers are displayed in the distribution type rot-window, and in the legenda-window after the label restfrac.
  If all impacts are within one frame, the actual position of the reflection within that frame cannot be determined (refined). The exrot value only makes sense if a reasonable amount of impacts is found in neighboring frames. A (shifted) reflection will only have a contribution to the average shifts if ShiftRestFrac exceeds shiftrestfracmin.
  shiftrestfrac is written to the yfile.
  Related commands: exrot, savemeanshift.

  shiftrmat

  Syntax: shiftrmatX state.
  Default: shiftrmat on.
  Actual: show refine
  If set to on, reflections for lattice X (default X=1) are also allowed to shift. Note: the shifts are the same for all lattices unless splitshift on has been set.
  Related commands: exhor, exrot, exver, shextra, shinit, shhor, shrot, shver, splitshift.

  shinit

  Syntax: shinitX hor ver rot.
  Default: shinit 0 0 0.
  Actual: show box
  Defines the global shiftvector for lattice X (default X=1). This vector (and also shextra) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
  Initial shifts can also be defined for sectors on the detector. See shiftgrid and shinitsector.
  shinit will also be set by shiftinit from xtal.evc, boxfile.evc (see boxopen and loadxtalevc) and by shinit from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  Related commands: exhor, exrot, exver, shextra, shhor, shiftrmat, shrot, shver, splitshift.

  shinitsector

  Syntax: shinitsectorX isect hor ver rot.
  Default: shinitsector 1 0 0 0.
  Actual: show box
  Defines the shiftvector for sector isect for lattice X (default X=1). This vector (and also shextra) is added to the simulated impact position (just before the impact is converted to a pixel or frame number). You can split the detector area into sectors with shiftgrid.
  shinitsector will also be set by shiftinitsector from xtal.evc, boxfile.evc (see boxopen and loadxtalevc) and by shinitsector from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  Related commands: shiftgrid, shinit.

  show

  Syntax: show (option).
  Show program status. option is all, or one of the aliases or options in this table:

  	alias	options	coressponding commands
  		changed	(variables changed since last markdefault)
  		misc	abort autorestore batch boxfixed correct creep delay ignore longdelay
  		process	process variables
  	internal	debug	trace
  		slices
  		world
  		xwin
  all	hardware	detector	adcnoise addconstant detectortype dethor detver dist gain incidencecoefficient pixelsize sensordepth sensoroffset swing
  		goniostat	euler goniostat goniostatchange goniostattype rotaxnr
  		pointspread	pointspreadgamma pointspreadmoment pointspreadthreshold pointspreadtype
  		polarisation	polarisation
  	integrate	box	boxsize cntfile penalty reflnr savemeanshift shinit shinitsector shextra slicefile splitshift
  		cell	nbtype rmat
  		fibre	epsilon fibre fibreaxis
  		refine	fix fomtype free intermediate isigrefine lsqtype msa1 msa2 ndivinner ndivouter refinefilename refinetol refinetol2 shiftgrid shiftrmat svdtol
  		simulate	cutoff edgefraction eval14 eval14threshold fbg fbragg low lpfinal manual reject maxtry msa1 msa2 nbcommonfraction nbcovariance nbexpandhv nbexpandr nboverlapfraction nbsimfraction nbvolume normalize penalty random cache randominit random seed reject responsfraction simulate weightscheme
  	model	focus	focfile focus focuschange focustype
  		lambda	lambdaadd lambdaaddfull lambdacalcmean lambdahigh lambdainit lambdalow lambdameanmid lambdarange lambdasigma lambdatype lambdavalue lambdaweight
  		mosaic	animo anivec latt latthigh lattlow latttype mica micahigh micalow micatype micavec mosaic mosaicadd mosaicinit mosaictype mosaicweight nmosaic
  		xtal	diffracpos collimatordiameter collimatorheight collimatortype collimatorwidth model mu xa xb xc xrot xrotx xroty xrotz xtalax xtalsamplesize xtalscale xtalshift
  	play	animate	random step walktype
  		contour	contour
  		cvector	chi hkl hor left phi reflnr right theta thetachilimit thmin thmax ver
  		impact	impact impactdotsize impactlabel
  	output	print	output printcontour printextreme printprojection printslices
  	graphics	appearance	diffscale difftype draw intermediate obsminfrac sampleplot scaletype square
  		colour	colour
  		distribution	distribution
  		legenda	legenda
  		link	link unlink
  		view	view viewrot
  		window	window
  		xtalplot	xtalplot xtalcfac

  showfaces

  Syntax: showfaces.
  Prints the face information of the crystal model.

  shrot

  Syntax: shrotX rot.
  Default: shrot 0.
  Actual: show box
  Defines the initial rotational shift for lattice X (default X=1). This shift (and also exrot) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
  shrot will also be set by shiftinit from xtal.evc, boxfile.evc (see boxopen and loadxtalevc) and by shinit from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  Related commands: exhor, exrot, exver, onescan, shextra, shiftrmat, shinit, shhor, shver, splitshift.

  shver

  Syntax: shverX ver.
  Default: shver 0.
  Actual: show box
  Defines the initial vertical shift for lattice X (default X=1). This shift (and also exver) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
  shver will also be set by shiftinit from xtal.evc, boxfile.evc (see boxopen and loadxtalevc) and by shinit from scanname.pic, boxfile.pic and (see boxopen and loadexppic).
  Related commands: exhor, exrot, exver, shextra, shhor, shiftrmat, shinit, shrot, splitshift.

  simulate

  Syntax: simulate nsim.
  Default: simulate 0.
  Actual: show simulate
  If set to a nonzero value, a simulation will be done for every reflection. shifts are added to the simulated impact positons. The results are presented in the projection-windows and slices-windows.

  sliceclose

  Syntax: sliceclose.
  Close the slicefile. The slicefile will be created with the slicewrite command. The name of the slicefile can be specified with slicefile.

  slicefactor

  Syntax: slicefactor f.
  Actual: show print
  Default: slicefactor 1.0.
  When slices are printed, all the values will be multiplied with f.
  Related commands: printframes, printslicelimit, printslices.

  slicefile

  Syntax: slicefile filename.
  Default: slicefile slices.dat.
  Actual: show box
  Sets the name of the slicefile. Slices can be written to this file if:
  • data are read from a boxfile (boxopen or file).
  • simulation is active (simulate>0).
  • simulation is done (go).
  Use slicewrite to write the observed and simulated slices to the output file.

  slicethreshold

  Syntax: slicethreshold slicetype value
  Sets a threshold for slicetype. slicetype is one of the slices.
  The threshold is used in the drawing of slices when drawtype (see link) equals one of point box fill outline.
  • drawtype=outline. Lines will be drawn between 2 pixels if one pixelvalue is less than the threshold and the other larger. The overal impression of these lines mimic a contour like figure.
  • drawtype=point/box/fill. pixels will be drawn if theire value exceeds the threshold
  The default is 0.1 for allslicetypes, except for pointspread and neighbour (these depent on cutoff).

  slicewrite

  Syntax: slicewrite
  Write selected (see slicewritefilter) slices to the slicefile. The file will be created if necessary. Specify the filename with slicefile. Close the file with sliceclose. slicewrite will only be effective while reading boxfile reflections (i.e. after boxopen or file) and while simulating (i.e. after simulate and go).
  The contents of a slicefile can be displayed with the program refl3d.

  slicewritefilter

  Syntax: slicewritefilter slicetype(s) state
  Default: slicewritefilter all on.
  Actual: show slices
  Specifies which slices will or will not be written with the slicewrite command.

  splitshift

  Syntax: splitshift state.
  Default: splitshift off.
  Actual: show refine
  
  • off
    One global initial shift (shinit) and one extra shift (shextra) for all lattices.
  • on
    Each lattice has its own initial shift (shinit) and extra shift (shextra).
    Notes:
    • This command will create the variables shextraX, exhorX, exverX, exrotX for every latticeX if latticeX has been defined (for example from the boxfile, or by rmat). If latticeX is not defined, nothing will happen. You may want to use nrmat to specify the expected number of lattices.
    • You will have to execute free shextra2 explicitly if you want to refine the shifts for the second lattice.
    • splitshift on implies shiftrmat on for each lattice.
  
  Related commands: shextra, shinit, shiftrmat.

  square

  Syntax: square state.
  Default: square on.
  Actual: show appearance
  Forces the scaling in the Hor-ver-windows to be the same for both horizontal and vertical.

  still

  Syntax: still f
  Default: still -1
  If set to a positive number, force integration of reflections from still frames. This option is normally set from the box file. f is used to include/exclude neighbouring reflections. Neighbouring reflections are only active if
  • abs(θ-η) is less than f
  • the impact position is within the boxlimits
  • the effective contribution ls larger than nbstillfraction
  A still consists of a (part of a) single image. eval15 will generate a quasi 3-dimensional box around this frame. The number of frames in this box is set by stillframes. The width of these frames is set by stillinc. oneframe is set to the central frame. The variable along the third dimension is η (90-η is the angle between primary beam and reflection-normal).
  If stillinc is negative, it will be set to f also.
  Related commands: framefraction, ncell, stillframes stillinc.

  stillframes

  Syntax: stillframes n
  Default: stillframes 5
  Sets the number of η-frames to n.
  Related commands: framefraction, ncell, still, stillinc.

  stillinc

  Syntax: stillinc f
  Default: stillinc -1
  Sets the width of still frames to f.
  Related commands: framefraction, ncell, still stillframes.

  stilltype

  Syntax: stilltype close/eta/flexible
  Default: stilltype eta
  Determines how a final impact is calculated. See the information on outray_close, outray_η and outray_flexible on the stills page.
  stilltype sets ignore stilltype on.

  store

  Syntax: store name.
  Stores the current set of refine variables in a set called name. You can inspect saved sets with storestatus. Stored sets can be restored with restore. The list of variables can be inspected with output refine full and refinestatus. When a new reflection is read, and if autorestore=on, restore init is executed. This will reset all variables (also the refined ones and the ones you changed after the last store init. After reading a reflection, an implicit store init is executed. So if you refined some variables, or changed some, you may return to the original status using restore init Before refining a reflection, the information will be saved in store last.

  storestatus

  Syntax: storestatus name.
  Prints a saved set of variables. Only refineable variables are printed. With output refine full the full list is printed. Type ? for name to get a list of store sets.
  Related commands: restore, store.

  sumhkl

  Syntax: sumhkl state.
  Default: sumhkl on.
  Actual: show simulate
  Only used with still images. If on the value of ncell will be multiplied by the sum of the reflection indices h, k and l.

  svdtol

  Syntax: svdtol f.
  Default: svdtol 3.0e-8.
  Actual: show refine
  In the process of Singular Value Decomposition (see lsqtype), singular values can be zero or very small. This would introduce numerical problems in solving the normal equations. Singular Value Decomposition handles these problems by setting these very small singular values to infinity instead of zero. A singular value is considered very small, if the ratio to the largest singular value is less than N_pixels*f. A plausible value for f is is the machine precision (typical 3.0e-8).

  swing

  Syntax: swing sw.
  Default: swing 0.0.
  Actual: show detector
  Sets the detector swing angle to sw.

  sync

  Syntax: sync
  This command is only usefull with the gd version of the program. With gd, the sync command will create a png file.

  ---

  target

  Syntax: target element.
  Default: see detectortype.
  Actual: show lambda
  Sets alpha1, alpha2, their sigma's and weights using element. Possible values are: Mo, Cu and Ag.
  Note: the spectrum will be set by the boxfile header if you open a boxfile (boxopen or file).

  targetname

  Syntax: targetname element.
  Default: see detectortype.
  Sets only the name of the target material. Use target to set the name and alpha1, alpha2, their sigma's and weights also.

  test

  Syntax: test linear/lorentz.
  Only for debugging purposes. Tests various parts of the program.

  trace

  Syntax: trace n.
  Default: trace 0.
  Actual: show debug
  If set to a nonzero value, a trace of routines will be printed to the screen. This command is for debugging purposes.

  ---

  unlink

  Syntax: unlink slicetype
  Actual: show link
  Disables the drawing of slice data. slicetype is one of the >slicetypes
  Use link to setup the drawing of slice data.

  vecscan

  Syntax: vecscan vectorname highindex.
  All three components of vectorname will be varied from -highindex to +highindex. For each (unique) vector the fom (see scanfomtype) is calculated and displayed.

  vectorname	condition	corresponding command
  anivec	animo > 0.0	anivec
  lattvec	latt > 0.0	lattvec
  micavec	mica > 0.0	micavec
  mosaicX X depends on number of mosaics (see mosaicadd	mosaicX > 0.0 mosaicrotangleX > 0.0	mosaicrotaxisX

  X in mosaicX depends on number of mosaics (see mosaicadd.
  Note: the fom can only be calculated if boxdata are available (boxopen or file) and simulate > 0.

  vecscanfile

  Syntax: vecscanfile boxfile vectorname highindex.
  Do a vecscan vectorname highindex on all reflections in boxfile.

  vector

  Syntax: vector xyz/hkl/uvw f1 f2 f3.
  Select an axis system:
  • xyz the laboratory system: x along xray beam, z points to zenith and y makes it righthanded
  • hkl the reciprocal axes system
  • uvw the direct axes system
  Enter the components of a vector f1 f2 f3. This vector will be printed with respect to all thee axes systems.

  view

  Syntax: view vec/x/y/z/c/det/out/microscope/phi/perp/hkl
  Default: view x
  Actual: show view
  Set the view point in the xtal-window.

  key	description
  vec	enter the view point (laboratory coordinates)
  x	view along primary beam
  y	view along y-axis (perpendicular primary beam, ground plane)
  z	view along zenith
  x	view along primary beam
  c	view along diffracting vector
  det	view along diffracted beam to detector
  out	view along diffracted beam to crystal
  microscope	view from KappaCCD microscope
  phi	view along phi axis (goniometer head)
  perp	perpendicular to detector
  hkl	along reciprocal vector

  viewrot

  Syntax: viewrot vr.
  Default: viewrot 0.0.
  Actual: show view
  The viewvector is set by view. The actual drawing is done after rotation of vr degrees around the vertical axis.

  volcortype

  Syntax: volcortype none/multiply/divide.
  Default: volcortype divide.
  Actual: show simulate
  Determines the crystal volume correction type:
  • none. No volume correction
  • multiply. If the crystalfraction is less than one, multiply with the fraction.
  • divide. If the crystalfraction is less than one, divide by the fraction.
  The viewvector is set by view.

  ---

  wait

  Syntax: wait
  wait the number of seconds specified by the delay command. Can be useful in an animation sequence.
  Example:
  

  theta 20 chi 20 phi 0 go
  delay 10
  \repeat 10 wait chi=+2 go
  

  weightscheme

  Syntax: weightscheme scheme.
  Default: weightscheme 1/sigmasquared.
  Actual: show simulate
  Sets the weightscheme for refinement.

  scheme	description
  1	unit weights
  1/sigmasquared	1/σ² (see msa1, msa2 and adcnoise)
  1/sigma	1/σ (see msa1, msa2 and adcnoise)

  Initial weights are based on the observed data. After simulation, the weights are based on the model. Weights are used for the profile analysis and the calculation of the foms (fomtype).

  window

  Syntax: window option arg [option arg].
  

  • window autofont

    Syntax: window autofont state
    Default: window autofont on
    Actual: show window
    If set to on the font in the legenda-window will be adapted to the content of the window and the size of the window. If the legenda-window is too small, the size of the font will be changed automatically to the largest possible of 9x15, 7x14, 7x13, 6x12, 6x10.
    If set to off, the font, as set by window font, will be used.

  • window border

    Syntax: window border n
    Default: window border 1
    Actual: show window
    Sets the border margin of the subwindows to n pixels.
    Related commands: window fraction, window legenda, window padding.

  • window delete

    Syntax: window delete distribution/zoom
    Deletes the specified window.

  • window font

    Syntax: window font fontname
    Default: window font 9x15
    Actual: show window
    Sets the font for the legenda-window. This also sets window autofont to on.

  • window fraction

    Syntax: window fraction f
    Default: window fraction 0.7
    Actual: show window
    Sets the window dimensions to fraction f of the screen. If the legenda-window becomes too small, the fontsize (window font) will be changed also.
    Related commands: window border, window legenda, window padding.

  • window info

    Syntax: window info
    Shows information about the window environment

  • window label

    Syntax: window label n
    Default: window label 1
    Actual: show window
    

    value	description
    0	No window labels
    1	Window labels in Left Column and Bottom Row
    2	same as 1 plus slice rows
    3	window labels in all windows

    The colour of the labels is set by colour legenda1.

  • window legenda

    Syntax: window legenda n.
    Default: window legenda 280.
    Actual: show window
    Sets the width (in pixels) of the legenda-window.
    Related commands: window autofont, window border, window font, window fraction, window padding.

  • window log

    Syntax: window log n
    Default: window log 4
    Actual: show window
    Sets the loglevel for graphics environment to n. Possible values are:

    value	description
    0	Emergency
    1	Alert
    2	Critical
    3	Error
    4	Warning
    5	Notice
    6	Information
    7	Debug

  • window padding

    Syntax: window padding n
    Default: window padding 1
    Actual: show window
    Sets the padding margin between subwindows to n pixels.
    Related commands: window border, window fraction, window legenda.

  • window xtalmin

    Syntax: window xtalmin f
    Default: window xtalmin 0.0
    The scale of the xtal-window is derived from the dimensions of the crystal (the window borders are set to 1.5 times the extreme corners of the crystal). The xtal-window can also be used to draw inrays and outrays (see sampleplot). For this purpose, the default scale is much to small. By setting f to a nonzero value, the minimum scale for the window will be set to f.
  

  ---

  xa

  Syntax: xa f.
  Default: xa 0.2.
  Actual: show xtal
  Sets xtal dimensions. xa is used by model to set the initial xtal dimensions. The actual dimensions depend also on xtalscale.
  Related commands: xb, xc.

  xb

  Syntax: xb f.
  Default: xb 0.2.
  Actual: show xtal
  Sets xtal dimensions. xb is used by model to set the initial xtal dimensions. The actual dimensions depend also on xtalscale.
  Related commands: xa, xc.

  xc

  Syntax: xc f.
  Default: xc 0.2.
  Actual: show xtal
  Sets xtal dimensions. xc is used by model to set the initial xtal dimensions. The actual dimensions depend also on xtalscale.
  Related commands: xa, xb.

  xrot

  Syntax: xrot ang.
  Default: xrot 0.
  Actual: show xtal
  Set the orientation of the xtal with respect to the goniometer head. See the description of the xtal orientation. All xtal coordinates will be rotated ang degrees around the xtalax. The rotation is only used in combination with the model command (so xrot is not used by the commands readins and readcorners).
  Note: xrot is applied after the initial rotations xrotx, xroty and xrotz.
  Related command: onescan.

  xrotx

  Syntax: xrotx ang.
  Default: xrotx 0.
  Actual: show xtal
  Set the initial orientation of the xtal with respect to the goniometer head. See the description of the xtal orientation. The rotation is only used in combination with the model command (so xrotx is not used by the commands readins and readcorners).
  Related commands: onescan, xroty, xrotz.
  xrotx can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

  xroty

  Syntax: xroty ang.
  Default: xroty 0.
  Actual: show xtal
  Set the initial orientation of the xtal with respect to the goniometer head. See the description of the xtal orientation. The rotation is only used in combination with the model command (so xroty is not used by the commands readins and readcorners).
  Related commands: onescan, xrotx, xrotz.
  xroty can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

  xrotz

  Syntax: xrotz ang.
  Default: xrotz 0.
  Actual: show xtal
  Set the initial orientation of the xtal with respect to the goniometer head. See the description of the xtal orientation. The rotation is only used in combination with the model command (so xrotz is not used by the commands readins and readcorners).
  Related commands: onescan, xrotx, xroty.
  xrotz can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc).

  xtalax

  Syntax: xtalax x y z.
  Default: xtalax 0 0 1.
  Actual: show xtal
  Change the orientation of the xtal. All xtal coordinates will be rotated xrot degrees around the x y z.

  xtalcfac

  Syntax: xtalcfac f.
  Default: xtalcfac 1.0.
  Actual: show xtalplot
  Set magnification of the c-vector plot in the xtal-window. The c-vector will be drawn if xtalplot cvector=on

  xtalplot

  Syntax: xtalplot option state.
  Actual: show xtalplot
  Set options for the xtal-window.

  option	default	where	visible	hidden	description
  angle	on	top	colour axesfg	colour axesfg	Do/DoNot plot the impact angle
  axes	on	reciprocal lower left direct lower right	colour axesfg	colour axesbg	Do/DoNot plot the cell axes
  axeshkl	off	lower left	colour facesfg	colour facesbg	Do/DoNot plot the vector xtalvec hkl
  axesuvw	off	lower right	colour facesfg	colour facesbg	Do/DoNot plot the vector xtalvec uvw
  corner	off		colour fg	colour fg	Do/DoNot plot the numbers for the crystal corners
  cvector	off	upper right	colour fg	colour fg	Do/DoNot plot the c-vector. You may set the scale factor with xtalcfac
  dashbg	off				Do/DoNot draw hidden xtal edges with dashed lines
  detector	off				Do/DoNot draw the detector. Set window xtalmin manually!
  edgebg	on			colour facesbg	Do/DoNot draw hidden xtal edges
  edgefg	on		colour facesfg		Do/DoNot draw visible xtal edges
  face	off		colour facesfg	colour facesbg	Do/DoNot plot the face numbers
  gonio	on		colour axesfg	colour axesbg	Do/DoNot the goniostat system
  goniovector	off		colour axesfg	colour axesbg	Do/DoNot plot the vector xtalvec gonio
  lab	on	upper right	colour axesfg	colour axesbg	Do/DoNot the laboratory system
  labvector	off	upper right	colour facesfg	colour facesbg	Do/DoNot plot the vector xtalvec lab
  origin	on		colour fg	colour fg	Do/DoNot draw the crystal origin.
  ruler	on	top right	colour facesfg	colour facesbg	Do/DoNot draw the ruler
  thinbg	off				Draw background faces with thin and foreground faces with thick lines.

  xtalsamplesize

  Syntax: xtalsamplesize sample.
  Default: xtalsamplesize 0.01.
  Actual: show xtal
  Before the simulation, the xtal will be sampled to improve performance. (This sampling has to be done only once, except if you change the cystal model). sample is the distance in mm (in 3 directions) between succeeding sample points. The maximum number of sample points is 500,000.
  • If eval15 runs in interactive mode and
    • if the number of sample points is less than 1000, the value of sample will be halved, until more than 1000 points are generated.
    • if the number of sample points exceeds the maximum of 500,000, the value of sample will be doubled, until less than 500,000 points are generated.
  Use printxtalsample to display the sampled set.

  xtalscale

  Syntax: xtalscale scale.
  Abbreviation: xscale.
  Default: xtalscale 1.0.
  Actual: show xtal
  Sets the global scale factor for building xtal models. The scale factor is used in combination with the model, readfaces, and readins commands. The scale factor is not used with readcorners). Note: the dimensions of the xtal model also depend on the values of xa, xb and xc.
  xtalscale is a refineable variable.
  Related command: onescan.

  xtalshift

  Syntax: xtalshift x y z.
  Actual: show xtal
  Moves the crystal over x y z (laboratory coordinates)
  xtalshift will also be set by scanname.pic and boxfile.pic (see boxopen and loadexppic).
  xtalshift is refineable by the variables xshx, xshy and xshz

  xtalvec

  Syntax: xtalvec hkl/gonio/lab/uvw x y z.
  Actual: show xtalplot
  Default: 0 0 1
  Sets the vectors for the xtalplot vector options.
  • hkl. Vector for xtalplot axeshkl
  • gonio. Vector for xtalplot goniovector
  • lab. Vector for xtalplot labvector
  • uvw. Vector for xtalplot axesuvw

  xyztohkl

  Syntax: xyztohkl x y z.
  Convert the laboratory vector x y z to reflection indices h,k,l.

  ---

  zero

  Syntax: zero option f.
  Actual: show debug
  Set the value of some near-zero variables.

  option	default	description
  det	0.001	determinant zero in BuildCornersFromFaces
  dist	0.0001	zero face distance in BuildCornersFromFaces and SampleXtal
  xyz	0.0001	zero corner distance in BuildCornersFromFaces
  ang	0.01	coinciding facenormals in CheckCoinciding

  Related commands: facetest, model, readcorners, readfaces, readins.

  zoom

  Syntax: zoom none/det/xtal.
  Syntax: zoom proj proj type.
  Syntax: zoom slice row frame.
  Default: zoom none.
  A (new) zoom-window will be created. The dimensions of the window are set to zoomfraction of the screen. You may specify a title for this window with zoomtitle. A hardcopy of the window can be made with ps zoom.
  • zoom none
    If the zoom-window exists, it will be deleted.
  • zoom det
    Not implemented
  • zoom projection
    Zoom one of the projection-windows. You have to specify the projection (rot-ver/hor-ver/hor-rot) and the type (flx/mn/flxmn/simul).
  • zoom ray
    zooms in on the ray-window
  • zoom sample
    zooms in on the sample-window
  • zoom slice
    Zoom one of the slice-windows. You have to specify row- and framenumber.
  • zoom xtal
    zooms in on the xtal-window

  zoomfraction

  Syntax: zoomfraction f.
  Default: zoomfraction 0.5.
  Sets the dimension of the zoomwindow to set to f of the screen.

  zoompick

  Syntax: zoompic.
  Click on a (sub)window and a (new) zoomwindow will be created.

  zoomtitle

  Syntax: zoomtitle string.
  Sets the title of the zoom window to string. The zoom command sets the title.

  ---

  Eval15
  EVPY Suite Overview