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As noted at https://zenodo.org/record/45756 , XDS.INP should be | As noted at https://zenodo.org/record/45756 , XDS.INP should be | ||
<pre> | <pre> | ||
! XDS.INP from https://zenodo.org/record/45756 | |||
DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 | DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 | ||
DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 | DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 | ||
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SPACE_GROUP_NUMBER=20 | SPACE_GROUP_NUMBER=20 | ||
UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000 | UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000 | ||
DATA_RANGE=1 180 | DATA_RANGE=1 180 ! actually there are 200 | ||
BACKGROUND_RANGE=1 6 | BACKGROUND_RANGE=1 6 | ||
SPOT_RANGE=1 3 | SPOT_RANGE=1 3 |