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

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

© Amy J. Thompson et al. 2023.

Bibliographische Detailangaben
Veröffentlicht in:Journal of applied crystallography. - 1998. - 56(2023), Pt 2 vom: 01. Apr., Seite 558-564
1. Verfasser: Thompson, Amy J (VerfasserIn)
Weitere Verfasser: Smith, Kate M L, Clegg, Jack K, Price, Jason R
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article CX-ASAP computer programs serial diffraction serial refinement
Beschreibung
Zusammenfassung:© Amy J. Thompson et al. 2023.
CX-ASAP 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, CX-ASAP can automatically refine, finalize and analyse data collections with wide-ranging temperatures, pressures etc. 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 CX-ASAP will help to close the growing gap between fast collection times and slow data finalization
Beschreibung:Date Revised 16.09.2024
published: Electronic-eCollection
Citation Status PubMed-not-MEDLINE
ISSN:0021-8898
DOI:10.1107/S1600576723000298