Multivariate analysis applications in x-ray diffraction

Pietro Guccione, Mattia Lopresti, Marco Milanesio, Rocco Caliandro

Risultato della ricerca: Contributo su rivistaArticolo di reviewpeer review

Abstract

Multivariate analysis (MA) is becoming a fundamental tool for processing in an efficient way the large amount of data collected in X-ray diffraction experiments. Multi-wedge data collections can increase the data quality in case of tiny protein crystals; in situ or operando setups allow investigating changes on powder samples occurring during repeated fast measurements; pump and probe experiments at X-ray free-electron laser (XFEL) sources supply structural characterization of fast photo-excitation processes. In all these cases, MA can facilitate the extraction of relevant information hidden in data, disclosing the possibility of automatic data processing even in absence of a priori structural knowledge. MA methods recently used in the field of X-ray diffraction are here reviewed and described, giving hints about theoretical background and possible applications. The use of MA in the framework of the modulated enhanced diffraction technique is described in detail.

Lingua originaleInglese
Numero di articolo12
pagine (da-a)1-21
Numero di pagine21
RivistaCrystals
Volume11
Numero di pubblicazione1
DOI
Stato di pubblicazionePubblicato - gen 2021

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