MCS2016: Difference between revisions

Latest revision as of 19:32, 30 April 2016

some notes concerning the datasets :

the datasets in the DIALS-data directory can be downloaded from:

https://zenodo.org/record/10271
https://zenodo.org/record/45756

Please note that only the very latest (04-04-2016) generate_XDS.INP produces a working XDS.INP for the second of these!

@@ Line 4: / Line 4: @@
   https://zenodo.org/record/10271
   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!
-As noted at https://zenodo.org/record/45756 , XDS.INP should be
-<pre>
-DETECTOR=ADSC  MINIMUM_VALID_PIXEL_VALUE=1  OVERLOAD= 65000
-DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0
-DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0
-TRUSTED_REGION=0.0 1.05
-MAXIMUM_NUMBER_OF_JOBS=10
-ORGX=   1582.82  ORGY=   1485.54
-DETECTOR_DISTANCE= 150
-ROTATION_AXIS= -1.0 0.0 0.0
-OSCILLATION_RANGE=1
-X-RAY_WAVELENGTH= 1.2821511
-INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0
-FRACTION_OF_POLARIZATION=0.90
-POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0
-SPACE_GROUP_NUMBER=20
-UNIT_CELL_CONSTANTS= 100.030   121.697    56.554    90.000    90.000    90.000
-DATA_RANGE=1  180
-BACKGROUND_RANGE=1 6
-SPOT_RANGE=1 3
-SPOT_RANGE=31 33
-MAX_CELL_AXIS_ERROR=0.03
-MAX_CELL_ANGLE_ERROR=2.0
-TEST_RESOLUTION_RANGE=8.0 3.8
-MIN_RFL_Rmeas= 50
-MAX_FAC_Rmeas=2.0
-VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS= 6000 30000
-INCLUDE_RESOLUTION_RANGE=50.0 1.7
-FRIEDEL'S_LAW= FALSE
-STARTING_ANGLE= -100      STARTING_FRAME=1
-NAME_TEMPLATE_OF_DATA_FRAMES= /home/mx2016/MX-tutorials/DIALS-data/x247398/t1.????.img
-</pre>