login Search Personalize Collections Help Data reduction for serial crystallography using a robust peak finder Hadian-Jazi, Marjan; Sadri, Alireza; Barty, Anton; Yefanov, Oleksandr; Galchenkova, Marina; ; ; ; ; ; ; ; ; ; ; ; ; ; 2021 Download Formats Add to Basket Files Action Filename Size Access Description License te5078.pdf 4.0 MB Public - - Abstract A peak-finding algorithm for serial crystallography (SX) data analysis based on the principle of `robust statistics' has been developed. Methods which are statistically robust are generally more insensitive to any departures from model assumptions and are particularly effective when analysing mixtures of probability distributions. For example, these methods enable the discretization of data into a group comprising inliers (i.e. the background noise) and another group comprising outliers (i.e. Bragg peaks). Our robust statistics algorithm has two key advantages, which are demonstrated through testing using multiple SX data sets. First, it is relatively insensitive to the exact value of the input parameters and hence requires minimal optimization. This is critical for the algorithm to be able to run unsupervised, allowing for automated selection or `vetoing' of SX diffraction data. Secondly, the processing of individual diffraction patterns can be easily parallelized. This means that it can analyse data from multiple detector modules simultaneously, making it ideally suited to real-time data processing. These characteristics mean that the robust peak finder (RPF) algorithm will be particularly beneficial for the new class of MHz X-ray free-electron laser sources, which generate large amounts of data in a short period of time. Details Title Data reduction for serial crystallography using a robust peak finder Author Hadian-Jazi, Marjan Sadri, Alireza Barty, Anton Yefanov, Oleksandr Galchenkova, Marina Oberthuer, Dominik Komadina, Dana Brehm, Wolfgang Kirkwood, Henry Mills, Grant de Wijn, Raphael Letrun, Romain Kloos, Marco Vakili, Mohammad Gelisio, Luca Darmanin, Connie Mancuso, Adrian Chapman, Henry N. Abbey, Brian Affiliation EuXFEL staff, EuXFEL user, EuXFEL guest Author Group Instrument SPB/SFX Sample Environment Keywords data reduction; serial crystallography; robust statistics; Bragg peak finding. Topic SPB/SFX experiment Scientific Area Structural biology and biocrystallography X-ray scattering, X-ray optics, and instrumentation techniques Imprint International Union of Crystallography, 2021 Date 2021 Publication Information Journal of Applied Crystallography, 54 (5), 1360-1378 (2021) Related external records DOI: 10.1107/S1600576721007317 Content Type Articles Language English External Website https://scripts.iucr.org/cgi-bin/paper?S1600576721007317 Record Appears in Groups > Scientific instruments and equipment > Sample Environment Topics > XFEL.EU experiments Instruments > SPB/SFX Beamlines > SASE1 Types > Articles Years > 2021 Preview Select file: te5078 Downloads Statistics from to By Days By Months By Years Update No data available. 2020-11 2021-01 2021-05 2021-08 2021-11 0 2 4 6 8 10 12 14 16 Total Downloads Download Full History