PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
March 13, 2013Journal of Applied Crystallography6,156 citations

GSAS-II: the genesis of a modern open-source all purpose crystallography software package

View Full Paper
BTBrian H. TobyRDR. B. Von Dreele

Key Points

Key points are not available for this paper at this time.

Abstract

The newly developed GSAS-II software is a general purpose package for data reduction, structure solution and structure refinement that can be used with both single-crystal and powder diffraction data from both neutron and X-ray sources, including laboratory and synchrotron sources, collected on both two- and one-dimensional detectors. It is intended that GSAS-II will eventually replace both the GSAS and the EXPGUI packages, as well as many other utilities. GSAS-II is open source and is written largely in object-oriented Python but offers speeds comparable to compiled code because of its reliance on the Python NumPy and SciPy packages for computation. It runs on all common computer platforms and offers highly integrated graphics, both for a user interface and for interpretation of parameters. The package can be applied to all stages of crystallographic analysis for constant-wavelength X-ray and neutron data. Plans for considerable additional development are discussed.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

Toby et al. (2013) studied this question.

synapsesocial.com/papers/69d7ca92ba18484428d17edbhttps://doi.org/10.1107/s0021889813003531
Ask AI
Helpful
Bookmark
Share
View Full Paper