Hi Mike,
you can get the I/sigma(I) value by dividing the average I by the
average total error that can be found in the last table in the
scalepack log-file. Please note, however, that this is not the same as
I/sigma(I) .
Best regards,
Dirk.
Am 09.07.2008 um 01:29 schrieb Michael
An easy way is to start XPREP, then give the name of the .sca file
when prompted for a datafile, and hit Enter several times until the
table of statistics appears.
George
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen,
Dear colleagues,
How do I get from scalepack the average I/sigma for the higher resolution
shell?
Mike Colaneri
