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| https://zenodo.org/record/10271 | | https://zenodo.org/record/10271 |
| https://zenodo.org/record/45756 | | https://zenodo.org/record/45756 |
| Please note that [[generate_XDS.INP]] does not currently produce a working XDS.INP for the second of these! | | Please note that only the very latest (04-04-2016) [[generate_XDS.INP]] produces a working XDS.INP for the second of these! |
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| As noted at https://zenodo.org/record/45756 , XDS.INP should be
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| <pre>
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| ! XDS.INP from https://zenodo.org/record/45756
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| DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000
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| DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0
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| DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0
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| TRUSTED_REGION=0.0 1.05
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| ORGX= 1582.82 ORGY= 1485.54
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| DETECTOR_DISTANCE= 150
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| ROTATION_AXIS= -1.0 0.0 0.0
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| OSCILLATION_RANGE=1
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| X-RAY_WAVELENGTH= 1.2821511
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| INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0
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| FRACTION_OF_POLARIZATION=0.90
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| POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0
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| SPACE_GROUP_NUMBER=20
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| UNIT_CELL_CONSTANTS= 100.030 121.697 56.554 90.000 90.000 90.000
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| DATA_RANGE=1 180 ! actually there are 200
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| BACKGROUND_RANGE=1 6
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| SPOT_RANGE=1 3
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| SPOT_RANGE=31 33
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| MAX_CELL_AXIS_ERROR=0.03
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| MAX_CELL_ANGLE_ERROR=2.0
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| TEST_RESOLUTION_RANGE=8.0 3.8
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| MIN_RFL_Rmeas= 50
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| MAX_FAC_Rmeas=2.0
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| VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 6000 30000
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| INCLUDE_RESOLUTION_RANGE=50.0 1.7
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| FRIEDEL'S_LAW= FALSE
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| STARTING_ANGLE= -100 STARTING_FRAME=1
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| NAME_TEMPLATE_OF_DATA_FRAMES= /home/mx2016/MX-tutorials/DIALS-data/x247398/t1.????.img
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| </pre>
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| What generate_XDS.INP produces differs from the above by the sign of the ROTATION_AXIS . This is a rather typical problem scenario: sometimes the beamline people make the spindle rotate the wrong (or at least uncommon) way. Since the headers of the frames do not have this information (which we try to collect in the [[Beamline notes]] article), the user has to try the other possibility, by manually editing XDS.INP (e.g. in the XDSGUI tab).
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