[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

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?


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