IOTA: integration optimization, triage and analysis tool for the processing of XFEL diffraction images.
J Appl Crystallogr
; 49(Pt 3): 1057-1064, 2016 Jun 01.
Article
em En
| MEDLINE
| ID: mdl-27275148
ABSTRACT
Serial femtosecond crystallography (SFX) uses an X-ray free-electron laser to extract diffraction data from crystals not amenable to conventional X-ray light sources owing to their small size or radiation sensitivity. However, a limitation of SFX is the high variability of the diffraction images that are obtained. As a result, it is often difficult to determine optimal indexing and integration parameters for the individual diffraction images. Presented here is a software package, called IOTA, which uses a grid-search technique to determine optimal spot-finding parameters that can in turn affect the success of indexing and the quality of integration on an image-by-image basis. Integration results can be filtered using a priori information about the Bravais lattice and unit-cell dimensions and analyzed for unit-cell isomorphism, facilitating an improvement in subsequent data-processing steps.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Appl Crystallogr
Ano de publicação:
2016
Tipo de documento:
Article