Dear Cristy, this is really hilarious. And it just shows how attached some ppl are to outdated numbers. Against better knowledge.
It has been shown many times that Rmerge is flawed at various levels. The only reason I can see to report it is to be backwards compatible. But of course, this is a really weak reason. I would love to see it disappear. All the best Manfred Am 10.06.2021 um 14:25 schrieb Maria Cristina Nonato: Dear Colleagues Hope to find you all well and healthy. I have a question regarding Rmerge. In recent years, we have published our crystallographic structures in highly respected journals using CC1/2, I/sigma(I), completeness and multiplicity as quality parameters for our diffraction data. Recently this year, We submitted a paper using the same strategy, but one of the reviewers asked us to provide the Rmerge, arguing that providing this data was compulsory and it was important to estimate radiation damage. We replied to the editor arguing that Rmerge should not be used as a quality parameter, as suggested by more recent literature, such as the article published by Karplus and Diederichs (10.1016/j.sbi.2015.07.003). We also argued that there are modern and efficient methods to estimate radiation damage ( doi.org/10.1107/S1600576718005241<http://doi.org/10.1107/S1600576718005241>; doi.org/10.1107/S0907444909040177<http://doi.org/10.1107/S0907444909040177>). It is my opinion that an experienced crystallographer can even monitor radiation damage over the course of data processing. And our paper was rejected !!!!!!!!!!!!!!!! due to the fact I did not provide Rmerge which I certainly could have done If I found necessary. Journals like Nature ((https://www.nature.com › documents › nr-tables-xray<https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=&ved=2ahUKEwiigtb19uHwAhWS3YUKHSB1AdkQFjABegQIAxAD&url=https%3A%2F%2Fwww.nature.com%2Fdocuments%2Fnr-tables-xray.doc&usg=AOvVaw1RbfYvNeiEM07FBEOohMig>) and even IUCr Journals (https://journals.iucr.org/f/services/structuralcommunications/) still list Rmerge as a data to be reported. I always took this as a suggestion since there are people still using Rmerge for data cutoff, but I never took this as if Rmerge was a compulsory data to be reported. I would like to hear the opinion of this community. Should we compulsorily report Rmerge? If so, Why? Cheers, Cristy -- Cristina Nonato Associate Professor Laboratório de Cristalografia de Proteínas Faculdade de Ciências Farmacêuticas de Ribeirão Preto University of São Paulo ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 -- Dr. Manfred S. Weiss Macromolecular Crystallography Helmholtz-Zentrum Berlin Albert-Einstein-Str. 15 D-12489 Berlin Germany ________________________________ Helmholtz-Zentrum Berlin für Materialien und Energie GmbH Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V. Aufsichtsrat: Vorsitzender Dr. Volkmar Dietz, stv. Vorsitzende Dr. Jutta Koch-Unterseher Geschäftsführung: Prof. Dr. Bernd Rech (Sprecher), Prof. Dr. Jan Lüning, Thomas Frederking Sitz Berlin, AG Charlottenburg, 89 HRB 5583 Postadresse: Hahn-Meitner-Platz 1 14109 Berlin Deutschland ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
