diff options
| author | Thomas White <taw@physics.org> | 2011-01-31 18:07:49 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2012-02-22 15:27:12 +0100 |
| commit | 42d0567895c3f130f746bb7cd6667c91d957a3c2 (patch) | |
| tree | 4ba8958e9eebd2ab68f9cae9630b245ef4e88ddc /doc | |
| parent | efa9f928fc937c53941881069da4f78356112fe7 (diff) | |
Add note about centered cells
Diffstat (limited to 'doc')
| -rw-r--r-- | doc/indexamajig.txt | 5 |
1 files changed, 5 insertions, 0 deletions
diff --git a/doc/indexamajig.txt b/doc/indexamajig.txt index efd065bd..61fd0bd8 100644 --- a/doc/indexamajig.txt +++ b/doc/indexamajig.txt @@ -140,6 +140,11 @@ unmatched raw cell might be left-handed: CrystFEL doesn't check this for you. Always using a right-handed cell means that the Bijvoet pairs can be told apart. +If the unit cell is centered (i.e. if the space group begins with I, R, C, A or +F), you should be careful when using "compare" for the cell reduction, since +(for example) DirAx will always find a primitive unit cell, and this cell must +be converted to the non-primitive conventional cell from the PDB. + A Note about Unit Cell Settings ------------------------------- |