I am experimenting with ALMN cross-rotation using some old known structures.
I was surprised to see what seems to be a requirement for the cell dimensions
of the two crystals to be the same. Is that the case?
Excerpts from the log follow.
eab
Data line--- CROSS 5 30
. ..
OPENED INPUT MTZ FILE
Logical Name: HKLIN Filename: /a/denzo/als060729/azx02/chbc1azx02r12.mtz
. . .
* Cell Dimensions : (obsolete - refer to dataset cell dimensions above)
170.1490 181.3120 240.5010 90.0000 90.0000 90.0000
. . .
OPENED INPUT MTZ FILE
Logical Name: HKLIN2 Filename: /a/denzo/ant101master/ant101_complete.mtz
. . .
* Cell Dimensions : (obsolete - refer to dataset cell dimensions above)
128.7980 168.5290 231.6520 90.0000 90.0000 90.0000
. . .
Inconsistency in Cell Dimensions - replacing old:
Old cell: 170.14900 181.31200 240.50101 90.00000 90.00000 90.00000
New cell: 128.79800 168.52901 231.65199 90.00000 90.00000 90.00000
If it is really changing the cell parameters of one of the datasets,
won't that distort the patterson and interfere with correlation?
Am I doing something wrong?
The two files are specified as HKLIN and HKLIN2
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