There are cases of different crystal forms of the same thing turning up
with similar lattice dimensions...
But if if the cell dimensions are the same, and one form is P4i with 4
molecules in the cell, and just enough space for one mol/asymm unit, and
the 2nd form is I422 then isnt the asymm volume
Dear All,
Thanks for all the suggestions, on and off the board!
Summary:
Some have asked for the L-statistic in P 4 21 2:
Mean |L| :0.397 (untwinned: 0.500; perfect twin: 0.375)
All programs tried (xtriage, truncate, pointless) agree that the 4Å data
is likely twinned P4 with an estimated tw
It helps to look at the output from the truncate step quite critically.
First is there a non cryst translation of 1/2,1/2,1/2 indicated in the P4
2i2 data set?
If so then the I centring at lower resolution might just be approximate..
If there is NC translation then other twinning statistics are
Dear Bjørn,
I guess the first step to enlightment is to recognize that we as mere mortals
are not able to deduce the space group from diffraction data alone. All
Aimless, XDS etc. can produce are educated guesses what the space group might
be. Especially when twinning is involved, the crystal pa
