Reflection Flags
Possible flags are
| WEAK |
0 |
1 |
weak reflections |
sigma |
| EDGEVER |
1 |
2 |
vertical edge |
eval14, eval15 |
| EDGEHOR |
2 |
4 |
horizontal edge |
eval14, eval15 |
| EDGEROT |
3 |
8 |
rotation edge |
eval14, eval15 |
| OVERLAPSUM |
4 |
16 |
overlap summed |
eval14, eval15 |
| OVERLAPSPLIT |
5 |
32 |
overlap splitted |
eval14 |
| REJECT |
6 |
64 |
rejected |
reject |
| BIGVER |
7 |
128 |
vertical too big |
eval14, eval15 |
| BIGHOR |
8 |
256 |
horizontal too big |
eval14, eval15 |
| BIGROT |
9 |
512 |
rotation too big |
eval14, eval15 |
| BADBG |
10 |
1024 |
bad background |
bgqual |
| NOTINTEGRATED |
11 |
2048 |
no pixel in reflection |
eval14, eval15 |
| BADPOS |
12 |
4096 |
bad detector position |
region |
| NEGATIVE |
13 |
8192 |
too negative |
sigma |
| BADUNIF |
14 |
16384 |
bad uniformity |
eval14, eval15 |
| OVERFLOW |
15 |
32768 |
too strong |
eval14, eval15 |
| MAXSHIFT |
16 |
65536 |
too many or too large shifts |
eval14, eval15 |
| MANYOVERLAP |
17 |
131072 |
too many overlaps |
eval14, eval15 |
| UNKNOWNBACKGROUND |
18 |
262144 |
background quality unknown |
eval14 |
| BADMOTHER |
19 |
524288 |
at least one reflection is forbidden |
badmother |
| ABSENT |
20 |
1048576 |
Absent reflection |
read,
bravais
|
| OVERLAPRMAT |
21 |
2097152 |
Overlap with interfering lattice n |
rmat n forbid |
| BADPROFILE |
22 |
4194304 |
an error occured in the profile analysis |
eval15 |
| TOOWEAK |
23 |
8388608 |
rejected in short-exposure-time scan |
tooweak |
| SADABS |
24 |
16777216 |
rejected by SADABS |
readhklv |
The following names are also available:
| EDGE |
EDGEHOR+EDGEVER+EDGEROTY |
| BIG |
BIGHOR+BIGVER+BIGROT |
| OVERLAP |
OVERLAPSUM+OVERLAPSPLIT |
| GOOD |
no flags |
| NOGOOD |
at least one flag |
| ALL |
all occuring flags |
| NONE |
empty list |
Flags can be set using a list of flags. Use + and - signs to
build a list, f.e. BIG+EDGE, ALL-GOOD (=NOGOOD)
You make a selection of flags with 3 commands:
- allow. Enter a list of
allowed flags.
A reflection passes this filter if at least one of its flags is in
the allow list.
- forbid. Enter a list of
forbidden flags.
A reflection is not used if at least one of its flags is in the
forbid list.
- require. Enter a list of
required flags.
A reflection is allowed only if all the flags in the require list
are set.
Reflections with no flags set (the GOOD reflections) are controlled
by good and
nogood.
Reflections with the flags BADUNIF and NOPIXEL have no intensities. These
reflections are not selectable (but see
alwaysforbid).
See also the reflection selection paragraph.
Flags are shown in the last column of reflection tables
(hkl,
hklm,
listrefl), unless
fieldflags is set to off.
Example
Assume a dataset with the following flags:
GOOD WEAK EDGEVER EDGEHOR EDGEROT OVERLAPSUM OVERLAPSPLIT BIGVER
BIGHOR BADBG NEGATIVE BADUNIF MAXSHIFT
The selectable flags are (BADUNIF is in the
alwaysforbid list):
GOOD WEAK EDGEVER EDGEHOR EDGEROT OVERLAPSUM OVERLAPSPLIT BIGVER
BIGHOR BADBG NEGATIVE MAXSHIFT
Initial:
Forbid NONE
Allow ALL
Require NONE
After: forbid big+edge
Forbid EDGEVER EDGEHOR EDGEROT BIGVER BIGHOR
Allow GOOD WEAK OVERLAPSUM OVERLAPSPLIT BADBG NEGATIVE MAXSHIFT
Require NONE
After: require weak
Forbid GOOD EDGEVER EDGEHOR EDGEROT BIGVER BIGHOR
Allow WEAK OVERLAPSUM OVERLAPSPLIT BADBG NEGATIVE MAXSHIFT
Require WEAK
The GOOD flag has moved from the allow list to the forbid list
(the combination GOOD+WEAK is nonsense)
Any
Command list