Re: [ccp4bb] Database for submitting unprocessed diffraction data

Dear Jerome, Zenodo (zenodo.org) is a sustainable solution for archiving raw data. Within Zenodo datasets can be grouped in communities. One such community is Macromolecular Crystallography. I would like to point you to my recent paper in Acta Cryst F. : https://doi.org/10.1107/S2053230X2300798

Re: [ccp4bb] Database for submitting unprocessed diffraction data

Van: CCP4 bulletin board namens JEROME JOHNSON Verzonden: woensdag 18 oktober 2023 18:23 Aan: CCP4BB@JISCMAIL.AC.UK Onderwerp: [ccp4bb] Database for submitting unprocessed diffraction data CAUTION: This email orig

Re: [ccp4bb] image

Dear ..., Each program has its own choice of the assymetric unit for unique reflections. So in CCP4 it is different from SHELX. In P6122 reflections (-1 3 1) and (2 1 1) are equivalent, so the conversion is correct. Best whishes, Loes _

[ccp4bb] new section in IUCrData

Dear all, I would like to attract you attention to the following. Best wishes, Loes Kroon-Batenburg --- IUCrData to publish "Raw" Data Letters IUCrData, the peer-reviewed open-access data publication from the International Union of Crystallography (IUCr), is launching a new section for au

Re: [ccp4bb] Raw diffraction images for SARS-CoV-2 related structures

Dear Gerard, This is a great idea. Of course I am very much in favour of making available raw diffraction images, and such a virtual workshop could demonstrate the usefulness of reprocessing raw diffraction data and structural refinements. I am not at all afraid that archiving of raw data that

Re: [ccp4bb] challenges in structural biology

Dear James, It would seem to me that an important issue is also: do get all information out of our diffraction data? By integrating the Bragg peaks we usually neglect the diffuse scattering that could potentially contain additional (dynamic) structural information. This can be cloudy diffuse sc