Re: [ccp4bb] Labeling centric and acentric reflections

[Alejandro Buschiazzo]

Hi Andre I think you can use SFTOOLS.  Check it with the documentation (cause not sure exactly), but after reading your mtz, you can use the command CALC. This  calculates lots of stuff, and even has some builtin functions, including the one you want (which  I think can be called with a “c”). something like READ my.mtz CALC COL my_new_column = 1 c - WRITE new.mtz Will add that new column with the name you choose, and put 1’s for centrics and 0’s for acentrics. Best , Alejandro  Hi, Is there a way to label centric and acentric reflections in the .mtz file and output an additional column, let's say, with values 0 (acentric) and 1 (centric), similar to R_free flagging? With the keyword CENTRIC_ONLY, CAD does something similar but only outputs centric reflections without additional labeling. Many thanks for your attention. -- Andre LB Ambrosio Associate Professor, IFSC/USP - Brazil www.ifsc.usp.br/alba To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1