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 lack of POINTLESS and AIMLESS lines within the history. As Graeme says, I think there are opportunities here for more sophisticated tracking of provenance - certainly going back as far as telling us where and when the images were collected would be most useful. Cheers -- David On Tue, 14 Jan 2020 at 11:04, Eleanor Dodson < 0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > 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 history with dates as well but > now with automated file naming it is hard to keep track of how a file was > generated. > > > It seems likely that lots of Table !s do not describe the data set that > was actually used for structure solution and deposition! > > Eleanor > > On Tue, 14 Jan 2020 at 10:11, Winter, Graeme (DLSLtd,RAL,LSCI) < > graeme.win...@diamond.ac.uk> wrote: > >> 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) <david.law...@jic.ac.uk> >> wrote: >> >> 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, but this is not the preferred >> option and I don’t get the full statistics I need for Table 1. >> >> Thanks in advance >> >> Dave Lawson >> >> ------------------------------- >> >> Prof. David M. Lawson >> Department of Biological Chemistry, >> John Innes Centre, >> Norwich, >> NR4 7UH, UK. >> Tel: +44-(0)1603-450725 >> Web: https://www.jic.ac.uk/people/david-lawson >> Email: david.law...@jic.ac.uk >> >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> >> >> >> >> -- >> >> This e-mail and any attachments may contain confidential, copyright and >> or privileged material, and are for the use of the intended addressee only. >> If you are not the intended addressee or an authorised recipient of the >> addressee please notify us of receipt by returning the e-mail and do not >> use, copy, retain, distribute or disclose the information in or attached to >> the e-mail. >> Any opinions expressed within this e-mail are those of the individual and >> not necessarily of Diamond Light Source Ltd. >> Diamond Light Source Ltd. cannot guarantee that this e-mail or any >> attachments are free from viruses and we cannot accept liability for any >> damage which you may sustain as a result of software viruses which may be >> transmitted in or with the message. >> Diamond Light Source Limited (company no. 4375679). Registered in England >> and Wales with its registered office at Diamond House, Harwell Science and >> Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom >> >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
