: a high-throughput tool for the serial refinement and analysis of crystallographic data collected under varying conditions.

J Appl Crystallogr

Australian Synchrotron, ANSTO, Melbourne, 800 Blackburn Road, Clayton, Victoria 3168, Australia.

Published: April 2023

is a new open-source software project designed to greatly reduce the time required to analyse crystallographic data collected under varying conditions. Scripted in Python3, can automatically refine, finalize and analyse data collections with wide-ranging temperatures, pressures . This is achieved using a reference structure, allowing for quick identification of problems, phase changes and even model comparison. The modular design means that new features and customized scripts can be easily added, tailoring the capabilities to the specific needs of the user. It is envisioned that will help to close the growing gap between fast collection times and slow data finalization.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077850PMC
http://dx.doi.org/10.1107/S1600576723000298DOI Listing

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