[phenixbb] unit cell discrepancies
Michael Hothorn
michael at hothorn.de
Wed Apr 20 15:36:44 PDT 2011
Dear all,
I am sure there is a simple explanation for this, but I cannot find a
solution. I am reading in an .mtz file in phenix.refine. mtzdump reports
the following unit cell constants on the file test.mtz itself:
175.0930 67.2510 119.0500 90.0000 121.5500 90.0000
The refined .pdb file and .maps report however a slightly different unit
cell, as does the logfile
>snip
Miller array info: test.mtz:FP,SIGFP
Observation type: xray.amplitude
Type of data: double, size=39702
Type of sigmas: double, size=39702
Number of Miller indices: 39702
Anomalous flag: False
Unit cell: (175.17, 67.236, 119.246, 90, 121.416, 90)
What am I missing?
Thanks!
Michael
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