Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Eleanor Dodson
an mtz file wont have *** - it is a binary file. mtxdump produces a formatted ascii image of the file,so that could result in **. That happens when a number you are trying to write is too large for the allocated format.. Indeed mtz2sca and mtz2various produce an identical sca file give or

Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Phil
I thought Aimless automatically scaled things to avoid this Sent from my iPad On 30 May 2015, at 16:47, Tim Gruene t...@shelx.uni-ac.gwdg.de wrote: Dear Eleanor, dear Tom, I wrote mtz2sca specifically for the transit from mosflm to shelx. It automatically scales the data to avoid

Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Andrew Leslie
Dear Tom, I believe that I once had a similar problem and if I remember correctly (and I'm not certain about this) it was caused by having an extremely large negative intensity (rather than +ve), which could be why the scaling steps did not work because they might only look at +ve values, not

[ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Tom Wong
Dear everyone: Recently I met a mtz format problem: after I processed a data by iMosflm and scaled by AIMLESS. The mtz file could not be processed for further phasing by shelx, it said: ** Input file /home/tom/ccp4test_6_1_sca.tmp.sca corrupted at line   7 **     0   0   6 38460.7 

Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Harry Powell
Hi You clearly have a very strong (0 0 6) reflection (I ~ |F^2| =1,000,000) - it’s overflowing the fixed-width format field in the output of both Aimless and mtz2various. The first thing I would do is to look at the image(s) that the reflection occurs on - is it actually a reflection from

Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Eleanor Dodson
As Harry says, this is a format problem. the sea file only allows intensities = 99.99 . I thought mtz2various was meant to scale intensities automatically to avoid this, but obviously that hasn't worked. You can check from viewing the mtz what the largest intensity is, then give a SCALE

Re: [ccp4bb] mtz format problem from iMosflm

2015-05-30 Thread Tim Gruene
Dear Eleanor, dear Tom, I wrote mtz2sca specifically for the transit from mosflm to shelx. It automatically scales the data to avoid overflows. I don't remember what it will do when the asterisks are part of the input mtz-file, but you should just give it a try. If it does not work, please let me