Re: [dddwg] Initiation of formal proposal resulting fromdiscussions at the DDDWG satellite meeting of the ECM Croatia
- To: IUCr Working Group on Diffraction data Deposition <dddwg@iucr.org>
- Subject: Re: [dddwg] Initiation of formal proposal resulting fromdiscussions at the DDDWG satellite meeting of the ECM Croatia
- From: Kamil Dziubek <rumianek@amu.edu.pl>
- Date: Fri, 04 Dec 2015 16:58:16 +0100
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Dear All, Thank you Mike for your brief recapitulation about reaching a consensus on a common raw data storage format. As John and Brian have noted, MX and 'small molecule' single crystal diffraction studies (and not only molecular crystals, also minerals, inorganics, etc.) are at antipodes concerning the commonly used data collection setups. I hope that as soon as such a generic image format will be generally accepted, the authors of the software provided with home lab diffractometers can include conversion tools in the updated versions of their programs. I would like also to draw your attention that one of the companies providing instruments for single crystal diffraction experiments, namely Rigaku Oxford Diffraction, introduced a generic data image format called ‘Esperanto’, and included it in the commercial data processing software package CrysAlisPro. This format is an efficient tool converting the most common area-detector data formats (Dectris, Rigaku d*trek, BrukerAXS saxi, Mar/Rayonix, Stoe IPDS) to be imported into the CrysAlisPro software. It has proved useful in a number of cases, including high pressure single crystal diffraction experiments (I have already used this method to process the data collected at two beamlines at the ESRF and one at SOLEIL). The details of the method are given in the following paper: http://scripts.iucr.org/cgi-bin/paper?S0909049513018621 Best wishes, Kamil On 2015-12-03 18:00, John Helliwell wrote:
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