Eval15 Command Context

Detector and Goniostat

Building the reflection model

Graphics

Output

Data processing

Animation

Other


Detector and Goniostat
Hardware
detectortype set detectortype (and goniostattype)
dethor set horizontal dimension
detver set vertical dimension
dist set detector distance
gain set detector gain
goniostattype set goniostattype
ignore gain Do/DoNot ignore gain from boxfile
ignore incidencecoefficient Do/DoNot ignore incidence coefficient from boxfile
ignore polarisation Do/DoNot ignore polarisation information from boxfile
incidencecoefficient incidence coefficient. Corrects for incidence angle
polarisation set beam polarisation
swing set detector swing angle
pointspread
pointspreadgamma sets gamma for pointspreadtype=lorentz
pointspreadmoment when to apply pointspread
pointspreadthreshold controlls the extent of the pointspread
pointspreadtype sets pointspreadtype
Building the reflection model
Xtal
facetest consistency check
model select model
readcorners reads a list of corners
readfaces read list of faces in laboratory coordinates
readins read list of faces in h,k,l
xa xtal dimension
xb xtal dimension
xc xtal dimension
xrot initial xtal rotation around xtalax
xrotx initial xtal rotation around x-axis
xroty initial xtal rotation around y-axis
xrotz initial xtal rotation around z-axis
xtalax xtal rotation axis
xtalscale xtal size scale factor
xtalshift change crystal position
zero set almost-zero variables
Focus
focfile read focus corners from a file
focus convergent select beam type
focus dist set focus distance
focus focaldist set focus focus (convergent beam)
focus focalradius set focus focus dimension (convergent beam)
focus length set focus length
focus slitdist distance between slits and xtal
focus slithor slit aperture
focus slitver slit aperture
focus takeoff set focus takeoff angle
focus width set focus width
ignore focus Do/DoNot ignore focus description from boxfile
focustype set focus type
Lambda
ignore lambda Do/DoNot ignore lambda information from boxfile
lambdaadd add a wavelength record to the spectrum
lambdacalcmean Calculate weighted and unweighted average wavelength
lambdainit clears the spectrum
lambdameanmid set weighted and unweighted average wavelength
lambdaprint print all wavelengths
lambdarange set threshold for intermediate wavelengths
lambdasigma set sigma for a wavelength record
lambdavalue set wavelengths in the spectrum
lambdaweight set relative weight for a wavelength record
target set lambda according to target material
targetname sets target material name (without setting lambda)
Lattice distortion
latt set amount of lattice distorion
latthigh upper limit of lattice distorion
lattlow low limit of lattice distorion
latttype set distribution of lattice distortion impacts
lattvec set lattice distortion direction
Mosaicity
animo set anisotropic mosaicity
anivec set anisotropic vector
mica set mica expansion
micahigh set upper limit on mica distribution
micalow set lower limit on mica distribution
micascale mica expansion depends on hkl
micatype set mica distribution type
micavec set mica vector
mosaic set isosotropic mosaicity
mosaicadd adds a mosaic to the mosaic spectrum
mosaictype set mosaic distribution type
mosaicweight set weight of a mosaic in the mosaic spectrum
nmosaic set number of mosaic vectors
onescan search mosaicity with lowest fom
unit cell
cell input cell parameters
centraloverlap integrate small cell with corresponding supercell as interfering lattice
ignore rmat Do/DoNot ignore rmat from boxfile
readins input cell parameters and face indices
rmat input orientation matrix
simulation
adcnoise set background noise
changecoef change Least-Squares fitted coefficients
lambdatype set lambda sample function
lsqtype set Least-Squares method
maxtry set the maximum nr of tries to generate a focus point in a convergent beam
msa how to derive σ from Intensity
nbtype handle neighbour reflections
penalty increase σ with the quality of the model fit
simulate set number of simulation points
svdtol tolerance for Singular Value Decomposition
weightscheme set weighting scheme
model tuning
cutoff sets size of (main and) neighbour reflections
diffscale sets scaling in slice (obs-calc)/sigma window
difftype sets type of sigma used in slice (obs-calc)/sigma window
manual clear clear manual reject list
manual overflow sets overflow threshold
manual reject reject a specific pixel
nbcovariance sets covariance threshold between main and neighbour reflection
nbsimfraction sets minimum fraction of simulated hits for accepting neighbour reflections
nbvolume sets minimum volume for accepting neighbour intensities
onescan search mosaicity/pointspread/lambda3....for lowest fom
reject set pixel reject threshold
zinger set zinger reject threshold
Graphics
graphics
clear clear detector window
colour set colours
intermediate what to plot during refinement
legenda configure content of legenda window
newworld force new world for xtal window
scaletype scale scheme for slice windows
window autofont controls automatic font resize
window border set subwindow border margin
window font set font
window fraction set window dimensions
window info show window information
window label specify which subwindows will be labeled
window legenda set legenda window width
window log set window log level
window padding set subwindow padding
zoom create a zoom window
zoomfraction set zoom window dimensions
zoomtitle specify zoom window title
scale
creep Do/DoNot allow scale factor to grow
creepinit set initial scale factor
boxfixed Do/DoNot use box dimensions
boxsize Set box dimensions
square DoDoNot use square grid
draw
contour select contours
draw central Do/DoNot draw central impact
draw contourpoints Do/DoNot draw contour points
draw grid Do/DoNot plot grid
draw legenda Do/DoNot plot legenda
draw profile Do/DoNot plot profiles in simulation window
draw simulated Do/DoNot plot simulated impacts in FLXMN window
impact select plotting of impacts
impactdotsize set impact dot size
impactlabel select plotting of impact labels
link setup drawing of slice data
sampleplot Controls plotting of sample points (xtal/focus)
unlink disable drawing of slice data
Xtal Window
diffracpos Do/DoNot rotate xtal into diffracting position
onerot rotate crystal 360 degrees
plot plot xtal in diffracting position
plot0 plot xtal in goniostat position (but with rotation angle=0)
plot000 plot xtal with goniostat angles zero
view set view direction
viewrot extra vertical rotation
xtalplot control plotting of axes/facenumber/corners
Distribution Window
distribution plot draw the distribution set by distribution type
distribution autolimit Do/DoNot use automatic distribution plot limits
distribution fraction change window dimension
distribution limit set distribution plot limits
distribution size change window dimensions
distribution simulate Upper limit for distribution spampling
distribution title sets the title of the distribution window
distribution type sets the distribution type
Output
File Output
cntclose close cnt file
cntfile set cnt filename
cntwrite write observed and simulated slices to cntfile
ps create snapshot of windows
refinewrite write refined variables to a file
save save settings into a file
savemeanshift Do/DoNot save average shifts
sliceclose close slice file
slicefile set slice filename
slicewrite write observed and simulated slices to file
Screen Output
extremeprint Select print of extreme vectors
noprint No contour prints
output controls amount of output
print select print of contours
printframes print the specified frame of all available slices
printprojection Do/DoNot print projections
printslicelimit Limit amount of output of printslices and printframes
printslices Do/DoNot print observed/simulated slices
printxtalsample print sample points
slicefactor multiply printed slices
Data Processing
input
batch process a complete boxfile
edgefraction set edge threshold
file Read experimental setup and a reflection from boxfile
ignore Do/DoNot ignore (various) boxdata
low Do/DoNot use Low data in boxfile
loadxtalevc Read xtal parameters .evc file
readfaces read list of faces in laboratory coordinates
readins read list of faces in h,k,l
boxclose close boxfile
boxnext open next boxfile
boxopen Read experimental setup and first reflection from boxfile
refine
autorestore reset parameters before new reflection
dump print all variables
fix fix variables
fomtype set minimization function
force free locked variables
free free variables
intermediate what to plot during refinement
isigrefine set minimum i/sigma for refinement
loadrefine initialize refinement variables
lock lock variables
ndiv set nr of refine repeats
randominit Do/DoNot reset the random generator
refine Refine variables
refinebox read and refine a whole boxfile
refinefile set refine filename
refineshift set initial variable shifts
refinestatus print refined variables
refinetol set refinement tolerance
refinewrite write refineable variables to refinefile
restore restore saved variables
shinit set initial shift
shinitsector set initial shift per sector
shextra change refined shift
shiftgrid splits detector area into sectors
shiftrestfracmin minimum threshold for average shifts
shiftrmatX allow matrix X to shift
splitshift interfering rmats have their own shift
store store refined variables
storestatus print stored variables
Animation
animation
animate Start animation
delay wait between successive c-vectors
longdelay wait after incomplete reflection
random anivec Do/DoNot change anivec
random cvector Do/DoNot change c-vector
random orient Do/DoNot change xtal orientation
random seed set random generator seed
randominit Do/DoNot reset the random generator
step set interval for walk
thetachilimit set maximum theta+chi
thmax set maximum theta
thmin set minimum theta
walk impacts on the whole detector
walktype set walk type
Other
c-vector
chi set angle between normal plane of rotax and c-vector
euler set goniostat angles
goniostat set goniostat angles
hkl set h,k,l
hor set horizontal impact
left force left impact
next set h,k,l and left/right (after boxopen)
phi set initial rotation angle around rotaxis
pq skip reflections until a minimum I/σ is reached (after boxopen)
reflnr read h,k,l and left/right (after boxopen)
right force right impact
rotaxnr set rotation axis
theta set c-vector length
ver set vertical impact
fibre
epsilon set fibre criterium
fibre Do/DoNot use fibre
fibreaxis set fibre axis
miscellaneous
abort Do/DoNot abort on warnings
batch process one boxfile and create y-file
correct enable/disable correction
exit exit program
go process one reflection
help start webbrowser
listoff close impact file
liston write impacts to file
menu set some variables
pixelsize set pixel size and frame width
ps create snapshot of windows
save save settings into a file
status show settings
wait wait n seconds
debug
check check various data
dump print all refineable variables
limits print array sizes
pick print window and pixel information
trace trace program execution

Eval15
Eval15 commands
EVPY Suite Overview