Monday 5 March 2012

sftools expand

From: wtempel
Date: 6 February 2012 15:37


Hello,
here is a question about the EXPAND command in SFTOOLS, specifically
its effect on a free reflection flag. Do the flag values get copied to
newly generated reflections based on symmetry, for example in the case
of a P622 -> P6 expansion?
many thanks,
Wolfram Tempel

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From: Bart Hazes


During expansion all data columns get copied as is, so Rfree flags will be as well (the only exception are phase columns which are adjusted as necessary when there are translational components to the crystallographic symmetry).

Bart


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