Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread David Lawson (JIC)
aled but unmerged mtz from DIALS as input to staraniso Hi Eleanor, MTZ history is still useful, so from a recent xia2 run I can see (with mtzdmp): * HISTORY for current MTZ file : From DIALS 2.0.1-gb22bab67b-release, run on 2019-11-21 at 10:59:17 GMT It isn't possible to tell that the da

Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread Ian Tickle
Hi Graeme No it looks like the problem is some network setting on David's side since I can submit David's data to the STARANISO server with no problem. The only thing to be aware of is that when submitting scaled unmerged data the checkbox "*Check* here if the data are unmerged but already scaled

Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread David Waterman
Hi Eleanor, MTZ history is still useful, so from a recent xia2 run I can see (with mtzdmp): * HISTORY for current MTZ file : From DIALS 2.0.1-gb22bab67b-release, run on 2019-11-21 at 10:59:17 GMT It isn't possible to tell that the data were actually scaled in DIALS too though, apart from the

Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Hello Eleanor Is that the sound of worms escaping a pot I hear in the distance? Certainly is! Yes, this is something which was raised with a few of my colleagues at the study weekend and something we are discussing internally - with my facility hat on I think we should get to the bottom of this

Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread Eleanor Dodson
Not quite relevent but is there some way of stamping these files with a record of where they were generated ? I used to use my ability to read - name them myself as SAMPLEX-dialsprocessing-unmerged.mtz then SAMPLEX-dialsprocessing-unmerged-staranisod.mtz and there is an mtz feature which wrote a h

Re: [ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Dear Dave, Star Aniso Developers, If this turns out to be because we are “missing something” i.e. there is an expectation on a property being present in the output files but it’s not there in our MTZ output, please let us know :-) Best wishes Graeme On 14 Jan 2020, at 09:06, David Lawson (JIC

[ccp4bb] scaled but unmerged mtz from DIALS as input to staraniso

2020-01-14 Thread David Lawson (JIC)
Dear ccp4bb I am trying to get the staraniso server to accept a scaled but unmerged mtz file from DIALS processing, but it reports an "Internal Server Error" after thinking about it for a while. Should this be possible? The file is 31 MB, so not huge. It works fine for a merged mtz from DIALS,