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SUMMARY:Development of new data processing methods for serial time-resolve
 d crystallography
DTSTART;VALUE=DATE-TIME:20250922T160000Z
DTEND;VALUE=DATE-TIME:20250922T161000Z
DTSTAMP;VALUE=DATE-TIME:20260526T203227Z
UID:indico-contribution-1837@lindico453.srv.lu.se
DESCRIPTION:Speakers: Rachel Tang (Diamond Light Source)\nTo obtain the hi
 ghest quality electron density maps\, from a time-resolved serial crystall
 ography experiment\, it is crucial to accurately group the observed intens
 ities according to the structure of the protein that generated those inten
 sities. In an ideal world\, each unique protein crystal structure would gi
 ve rise to a set of well defined intensities\, which would enable the inte
 nsities to be grouped easily. Unfortunately\, due to many real world limit
 ations\, this is not the case: 1) The crystal is an average of many protei
 n structures 2) Experimental effects such as unequal soaking\, unequal las
 er/ x-ray exposure etc. 3) A range of crystal sizes causing inconsistent i
 ntensities which require rescaling. These effects give rise to uncertainty
  in the observed intensity values. Furthermore\, only a minor proportion o
 f hkls are affected by the change in protein structure\, and of those hkls
 \, the intensity changes are often subtle.\nDespite all the challenges\, a
  statistically rigorous approach is required to accurately group observed 
 intensities according to the structure of the protein that generated those
  intensities. One approach utilises Bayesian statistics\, a probability ba
 sed approached used in many areas such as weather forecasting\, econometri
 cs and natural language processing. In principle\, some Bayesian methods s
 uch as naive Bayes and maximum likelihood estimator is able to assess the 
 probability a set of intensities were derived from a protein structure. In
  practice\, the intensities have high uncertainty values and there are man
 y nuances as to how this data processing pipeline should be set up\, somet
 imes sacrificing flexibility for increased confidence in the results.\n\nC
 o-authors: James Beilsten-Edmands\, Mike Hough\, Graeme Winter\n\nhttps://
 lindico453.srv.lu.se/event/583/contributions/1837/
LOCATION:LINXS at The Loop
URL:https://lindico453.srv.lu.se/event/583/contributions/1837/
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