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→Scaling information
| Line 62: | Line 62: | ||
cF [196,F23] [209,F432] [210,F4(1)32] | cF [196,F23] [209,F432] [210,F4(1)32] | ||
cI [197,I23] [199,I2(1)3] [211,I432] [214,I4(1)32] | cI [197,I23] [199,I2(1)3] [211,I432] [214,I4(1)32] | ||
== Cell parameter refinement == | |||
This may look like | |||
<pre> | |||
****************************************************************************** | |||
REFINEMENT OF DIFFRACTION PARAMETERS USING ALL IMAGES | |||
****************************************************************************** | |||
REFINED VALUES OF DIFFRACTION PARAMETERS DERIVED FROM 197690 INDEXED SPOTS | |||
REFINED PARAMETERS: POSITION BEAM AXIS ORIENTATION CELL | |||
STANDARD DEVIATION OF SPOT POSITION (PIXELS) 0.50 | |||
STANDARD DEVIATION OF SPINDLE POSITION (DEGREES) 0.03 | |||
SPACE GROUP NUMBER 199 | |||
UNIT CELL PARAMETERS 77.443 77.443 77.443 90.000 90.000 90.000 | |||
E.S.D. OF CELL PARAMETERS 1.8E-02 1.8E-02 1.8E-02 0.0E+00 0.0E+00 0.0E+00 | |||
REC. CELL PARAMETERS 0.012913 0.012913 0.012913 90.000 90.000 90.000 | |||
COORDINATES OF UNIT CELL A-AXIS 45.490 47.263 -41.162 | |||
COORDINATES OF UNIT CELL B-AXIS -45.887 59.759 17.904 | |||
COORDINATES OF UNIT CELL C-AXIS 42.690 13.873 63.107 | |||
CRYSTAL MOSAICITY (DEGREES) 0.048 | |||
LAB COORDINATES OF ROTATION AXIS 0.999999 0.001525 -0.000039 | |||
DIRECT BEAM COORDINATES (REC. ANGSTROEM) -0.003439 0.001125 0.999994 | |||
DETECTOR COORDINATES (PIXELS) OF DIRECT BEAM 2299.53 2261.76 | |||
DETECTOR ORIGIN (PIXELS) AT 2308.69 2258.76 | |||
CRYSTAL TO DETECTOR DISTANCE (mm) 199.65 | |||
LAB COORDINATES OF DETECTOR X-AXIS 1.000000 0.000000 0.000000 | |||
LAB COORDINATES OF DETECTOR Y-AXIS 0.000000 1.000000 0.000000 | |||
THE DATA COLLECTION STATISTICS REPORTED BELOW ASSUMES: | |||
SPACE_GROUP_NUMBER= 199 | |||
UNIT_CELL_CONSTANTS= 77.44 77.44 77.44 90.000 90.000 90.000 | |||
</pre> | |||
== Scaling information == | == Scaling information == | ||
=== Details about the error model === | === Details about the error model === | ||
== Statistics of reflections == | == Statistics of reflections == | ||