Re: [ccp4bb] how to run shelx C/D/E using CCP4 GUI on windows

2017-05-09 Thread George Sheldrick
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 PHAS

Re: [ccp4bb] how to run shelx C/D/E using CCP4 GUI on windows

2017-05-08 Thread Eleanor Dodson
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

[ccp4bb] how to run shelx C/D/E using CCP4 GUI on windows

2017-05-08 Thread chen c
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. Candid