Just to confirm what Eleanor said: all SHELX programs prefer to be given
intensities but can accept F if the intensities have been lost.
Converting intensities to F (e.g. with ctruncate) and back again
degrades the statistics for the weak reflections and is discouraged. The
same applies to PHASER and other modern programs.
George
On 05/08/2017 01:19 PM, Eleanor Dodson wrote:
I cant say anything about Windowssystems - jobs are MEANT to run on
either.
But re Intensities - you will have intensities in an mtz file
somewhere - all data processing outputs both amplitudes and intensities..
As a rule the conversion for I to F and back does not change the
stronger intensities much and again as a rule, the SHELX chain will
work. However the intermediate conversions are best avoided if you
still have intensities available
Eleanor
On 8 May 2017 at 10:57, chen c <chenc...@gmail.com
<mailto:chenc...@gmail.com>> wrote:
Hi everyone,
Can anybody tell how to run shelx C/D/E within CCP4 GUI on windows
system? Moreover, since shelx C/D/E within CCP4 using mtz file
(structure factor) instead of sca file (intensity), would this
matters in tough conditions?
Thank you!
Best regards
Chen
--
Cheng Chen, Ph.D. Candidate
Laboratory of Structural Biology
Life Science Building,Tsinghua University
Beijing 100084
China
Tel:+86-10-62772291 <tel:+86%2010%206277%202291>
Fax:+86-10-62773145 <tel:+86%2010%206277%203145>
E-mail:che...@xtal.tsinghua.edu.cn
<mailto:e-mail%3ache...@xtal.tsinghua.edu.cn>
北京市海淀区清华大学生命科学馆201-212室
邮编：100084
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582
