2,652
edits
Generate XDS.INP: Difference between revisions
Jump to navigation
Jump to search
→The script: v0.82 start implementing STARTING_ANGLE - useful for dials.rs_mapper
(→The script: v0.81) |
(→The script: v0.82 start implementing STARTING_ANGLE - useful for dials.rs_mapper) |
||
| Line 98: | Line 98: | ||
# revision 0.80 . KD 13/02/2018 remove DISTANCE keyword from REFINE() list; remove POSITION from REFINE(IDXREF) | # revision 0.80 . KD 13/02/2018 remove DISTANCE keyword from REFINE() list; remove POSITION from REFINE(IDXREF) | ||
# revision 0.81 . KD 21/02/2018 when encountering CBF files from Eiger (ESRF), treat as Pilatus detector | # revision 0.81 . KD 21/02/2018 when encountering CBF files from Eiger (ESRF), treat as Pilatus detector | ||
REVISION="0. | # revision 0.82 . KD 28/02/2018 implement STARTING_ANGLE. Start with MarCCD. This will enable to use dials.rs_mapper. | ||
REVISION="0.82 (28-Feb-2018)" | |||
# | # | ||
| Line 144: | Line 145: | ||
# default FRACTION_OF_POLARIZATION | # default FRACTION_OF_POLARIZATION | ||
pol_frac=0.98 | pol_frac=0.98 | ||
STARTING_ANGLE=0 | |||
dname=`echo "$1" | xargs dirname` | dname=`echo "$1" | xargs dirname` | ||
| Line 266: | Line 268: | ||
DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | DETECTOR_DISTANCE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
DETECTOR_DISTANCE=`echo "scale=3; $DETECTOR_DISTANCE/1000" | bc -l` | DETECTOR_DISTANCE=`echo "scale=3; $DETECTOR_DISTANCE/1000" | bc -l` | ||
let SKIP=1024+256+128+256+44 | |||
STARTING_ANGLE=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | |||
STARTING_ANGLE=`echo "scale=2; $STARTING_ANGLE/1000" | bc -l ` | |||
echo STARTING_ANGLE= $STARTING_ANGLE | |||
let SKIP=1024+256+128+256+4 | let SKIP=1024+256+128+256+4 | ||
ORGX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ORGX=$(od -t dI -j $SKIP -N 4 tmp2 | head -1 | awk '{print $2}') | ||
| Line 678: | Line 685: | ||
$COMMENT_ORGXY | $COMMENT_ORGXY | ||
DETECTOR_DISTANCE= $DETECTOR_DISTANCE !read by XYCORR, IDXREF. Negative if detector normal points to crystal. | DETECTOR_DISTANCE= $DETECTOR_DISTANCE !read by XYCORR, IDXREF. Negative if detector normal points to crystal. | ||
OSCILLATION_RANGE= $OSCILLATION_RANGE | OSCILLATION_RANGE= $OSCILLATION_RANGE | ||
STARTING_ANGLE= $STARTING_ANGLE | |||
X-RAY_WAVELENGTH= $X_RAY_WAVELENGTH | X-RAY_WAVELENGTH= $X_RAY_WAVELENGTH | ||
NAME_TEMPLATE_OF_DATA_FRAMES=$NAME_TEMPLATE_OF_DATA_FRAMES | NAME_TEMPLATE_OF_DATA_FRAMES=$NAME_TEMPLATE_OF_DATA_FRAMES | ||