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− | This script generates XDS.INP based on a list of frame names supplied on the commandline. It currently works for MarCCD, ADSC and Pilatus 6M detectors; since this is just a bash script, extension to other detectors is very easy. | + | This script generates XDS.INP based on a list of frame names supplied on the commandline. It currently works for MarCCD, ADSC and Pilatus detectors; since this is just a bash script, extension to other detectors is very easy. |
| | | |
| == Usage == | | == Usage == |
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| # purpose: generate XDS.INP | | # purpose: generate XDS.INP |
| # | | # |
− | # tested with some datasets from ALS, SSRL, SLS, ESRF and BESSY; only MARCCD, ADSC/SMV, PILATUS 6M detectors; | + | # tested with some datasets from ALS, SSRL, SLS, ESRF and BESSY; only MARCCD, ADSC/SMV, PILATUS detectors; |
| # for other detectors, values marked with XXX must be manually filled in. | | # for other detectors, values marked with XXX must be manually filled in. |
| # | | # |
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| # revision 0.19 . KD 6/2011 - bugfix for 0.18 | | # revision 0.19 . KD 6/2011 - bugfix for 0.18 |
| # revision 0.20 . KD 7/2011 - redirect stderr of /bin/ls to /dev/null | | # revision 0.20 . KD 7/2011 - redirect stderr of /bin/ls to /dev/null |
− | REVISION="0.20 (15-Jul-2011)" | + | # revision 0.21 . KD 11/2011 - SEPMIN, CLUSTER_RADIUS hints; read NX NY from header (for Pilatus 2M) |
| + | REVISION="0.21 (15-Jul-2011)" |
| # | | # |
| # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" | | # usage: e.g. generate_XDS.INP "frms/mydata_1_???.img" |
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| | | |
| elif [ "$DET" == "pilatus" ]; then | | elif [ "$DET" == "pilatus" ]; then |
− | DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576 !PILATUS 6M" | + | DETECTOR="PILATUS MINIMUM_VALID_PIXEL_VALUE=0 OVERLOAD= 1048576 !PILATUS" |
| SENSOR_THICKNESS=0.32 | | SENSOR_THICKNESS=0.32 |
− | NX=2463 NY=2527 QX=0.172 QY=0.172 | + | QX=0.172 QY=0.172 |
| echo Data from a Pilatus detector | | echo Data from a Pilatus detector |
| sed s/#// tmp2 > tmp1 | | sed s/#// tmp2 > tmp1 |
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| # find X_RAY_WAVELENGTH: | | # find X_RAY_WAVELENGTH: |
| X_RAY_WAVELENGTH=`grep Wavelength tmp2 | sed -e s/Wavelength// -e s/A// | awk '{print $1}'` | | X_RAY_WAVELENGTH=`grep Wavelength tmp2 | sed -e s/Wavelength// -e s/A// | awk '{print $1}'` |
| + | |
| + | # find NX and NY; 2463/2527 is 6M, 1475/1679 is 2M |
| + | NX=`grep X-Binary-Size-Fastest-Dimension tmp2 | awk '{print $2}'` |
| + | NY=`grep X-Binary-Size-Second-Dimension tmp2 | awk '{print $2}'` |
| | | |
| # find ORGX and ORGY: | | # find ORGX and ORGY: |
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| STRONG_PIXEL=6 ! COLSPOT: only use strong reflections (default is 3) | | STRONG_PIXEL=6 ! COLSPOT: only use strong reflections (default is 3) |
| MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high | | MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT=3 ! default of 6 is sometimes too high |
| + | ! close spots: reduce SEPMIN and CLUSTER_RADIUS from their defaults of 6 and 3, e.g. to 4 and 2 |
| REFINE(INTEGRATE)=CELL BEAM ORIENTATION ! AXIS DISTANCE | | REFINE(INTEGRATE)=CELL BEAM ORIENTATION ! AXIS DISTANCE |
| | | |