20 Apr
2011
20 Apr
'11
7:36 p.m.
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