I join!

Miguel Gregorkiewitz

PS so far, i had no problems to have accepted my validations, but checkcif
is a questionable hurdle in powder diffraction!

El sáb, 7 oct. 2023 2:04, Peter Stephens <peter.steph...@stonybrook.edu>
escribió:

> I feel that checkCIF (and by extension, CCDC) is growing increasingly
> hostile to us crystallographic bottom-feeders who ply our trade with powder
> diffraction data.  I'm sure that members of this group share my frustration
> in getting inappropriate complaints like a missing Flack parameter, 
> _diffrn_measured_fraction_theta_full,
> or _diffrn_reflns_av_R_equivalents.  At the moment, I am struggling over
> referees' reports that some of my structures should not be published
> because they throw level A and B alerts, without reading my validation
> reply form.
>
> Brian Toby puts it very well (and in much more measured tones than I can
> muster) in International Tables vol. H, 4.10.6.3, "Many of the alerts
> it [checkCIF] reports are not appropriate for powder diffraction studies,
> ... it is hoped that the community will contribute to making this process
> even more valuable for the review of results."  Is there such a movement
> underway?  How can I join?
>
> Best,
> Peter
>
> **************************
> Peter W. Stephens
> SUNY Distinguished Professor Emeritus
> Department of Physics and Astronomy
> Stony Brook University
>
>
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