Thanks for the help, the old version of truncate did the trick. Interestingly running the old version of truncate in either of the data reduction pipelines (with aimless or scala) produced mtz files containing no F's but the stand alone version produced an mtz with all the f's prsent.
cheers, Steve Dr Stephen Carr Research Complex at Harwell (RCaH) Rutherford Appleton Laboratory Harwell Oxford Didcot Oxon OX11 0FA United Kingdom Email stephen.c...@rc-harwell.ac.uk tel 01235 567717 ________________________________ From: Parthasarathy Sampathkumar [spart...@gmail.com] Sent: 19 June 2014 19:55 To: ccp4bb Subject: Re: [ccp4bb] ctruncate error Yes.., I too had similar problem with Ctruncate, and used older truncate to overcome the issue. Best Wishes, Partha On Thu, Jun 19, 2014 at 2:38 PM, jie liu <jl1...@njms.rutgers.edu<mailto:jl1...@njms.rutgers.edu>> wrote: Hi I also encountered the same problem after recent updates (not the most recent one, but a couple of updates back). Choosing to run old-truncate will get it around. Best wishes Jie ----- Original Message ----- From: "<Stephen Carr>" <stephen.c...@rc-harwell.ac.uk<mailto:stephen.c...@rc-harwell.ac.uk>> To: <CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>> Sent: Thursday, June 19, 2014 1:11 PM Subject: [ccp4bb] ctruncate error Dear CCP4bb, I am experiencing an unusual error when running truncate. The program appears to be converting I's to F's, but then failing to output them in the resulting mtz file, see mtzdump output below: Col Sort Min Max Num % Mean Mean Resolution Type Column num order Missing complete abs. Low High label 1 ASC 0 26 0 100.00 12.6 12.6 79.95 3.00 H H 2 NONE 0 15 0 100.00 4.3 4.3 79.95 3.00 H K 3 NONE -42 42 0 100.00 0.7 16.0 79.95 3.00 H L 4 NONE 0.0 19.0 0 100.00 9.56 9.56 79.95 3.00 I FreeR_flag 5 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 F F_delta16 6 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 Q SIGF_delta16 7 BOTH 0.0 0.0 25 99.81 0.00 0.00 42.22 3.00 D DANO_delta16 8 BOTH 0.0 0.0 11253 13.22 0.00 0.00 42.22 3.00 Q SIGDANO_delta16 9 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 G F_delta16(+) 10 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 L SIGF_delta16(+) 11 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 G F_delta16(-) 12 BOTH ? ? 12968 0.00 ? ? -999.00 0.00 L SIGF_delta16(-) 13 BOTH 0 0 25 99.81 0.0 0.0 42.22 3.00 Y ISYM_delta16 14 NONE -8.9 72479.2 25 99.81 198.34 198.44 42.22 3.00 J IMEAN_delta16 15 NONE 0.6 3135.7 25 99.81 5.25 5.25 42.22 3.00 Q SIGIMEAN_delta16 16 NONE -10.8 72479.2 25 99.81 198.18 198.37 42.22 3.00 K I_delta16(+) 17 NONE 0.0 3135.7 25 99.81 6.79 6.79 42.22 3.00 M SIGI_delta16(+) 18 NONE -9.5 72479.2 25 99.81 198.30 198.47 42.22 3.00 K I_delta16(-) 19 NONE 0.0 3135.7 25 99.81 6.70 6.70 42.22 3.00 M SIGI_delta16(-) No. of reflections used in FILE STATISTICS 12968 The truncate log file shows no obvious errors apart from the cumulative intensity plot which indicates no reflections, all other diagnostic indicators for data quality seem to suggest everything is ok. I get the error with both ctruncate and truncate and also automatically as part of the scaling/merging pipelines. The data were processed with imosflm, scaled with aimless with neither flagging any errors with the data. I am running CCP4 6.4.0 on a linux box (Centos 6) and have installed the latest updates. Any suggestions as to what the fault might be and how to get around it would be greatly appreciated. best wishes, Steve Dr Stephen Carr Research Complex at Harwell (RCaH) Rutherford Appleton Laboratory Harwell Oxford Didcot Oxon OX11 0FA United Kingdom Email stephen.c...@rc-harwell.ac.uk<mailto:stephen.c...@rc-harwell.ac.uk> tel 01235 567717 This email and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. 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