Hi Gerard, I tried your procedure on the xplor faq but the awk script didn't seem to work with my mtzdump output. I tried using mtz2various to put my reflection file into xplor format. After some minor modification with sed (ie changing FCAL to FCALC ) xplor would accept the reflection file. Using this route the reflection file has the following columns: INDE -37 -14 1 FOBS= 1166.7 SIGMA= 90.7 FCALC= 253.4 -98.7 TEST= 0 I wrote a sort awk script to reorganize these columns in the same way as your awk script does ie: INDE -37 -14 1 FOBS= 1166.7 261.3 SIGMA= 90.7 FCALC= 253.4 TEST= 0 xplor won't accept this reflection file - I think it needs a phase after FCALC. I have some questions. 1. Should the phase be after FCALC, FOBS or both? 2. Is it necessary for the phases to be a positive number in xplor ? I assume ($11+360.0)%360 in awk makes the phases positive. 3. Is it possible to use SIGMAA from CCP4 to generate a FOM for input into xplor? I'm not sure if WCMB from SIGMAA could be used as a FOM. 4. I'm using X-plor 3.851 - you refer to X-plor 4.0 in the FAQ. Does that explain why I'm running into difficulties. A. Coker alunc@soton.ac.uk ---------- From: Gerard 'CD' Kleywegt[SMTP:GERARD@XRAY.BMC.UU.SE] Sent: 09 February 1998 13:08 rave phases in xplor -> yep, see the xplor faq --cd
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