Evidence map›Paper›PMID 28989718›Full record

ArticleIUCrJ2017

Background modelling of diffraction data in the presence of ice rings.

James M Parkhurst, Andrea Thorn, Melanie Vollmar, Graeme Winter, David G Waterman, Luis Fuentes-Montero, Richard J Gildea, Garib N Murshudov, Gwyndaf Evans

Abstract read
In one paragraph

Article in IUCrJ, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

11 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
  6. Detecting ice artefacts in processed macromolecular diffraction data with machine learning.Acta crystallographica. Section D, Structural biology · 2022
    Article
  7. Article
  8. Ice in biomolecular cryocrystallography.Acta crystallographica. Section D, Structural biology · 2021
    Article
  9. Article
  10. Electron diffraction data processing with DIALS.Acta crystallographica. Section D, Structural biology · 2018
    Article
  11. AUSPEX: a graphical tool for X-ray diffraction data analysis.Acta crystallographica. Section D, Structural biology · 2017
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

James M ParkhurstDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Andrea ThornDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.ORCID https://orcid.org/0000-0003-4503-4258
Melanie VollmarDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Graeme WinterDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
David G WatermanSTFC Rutherford Appleton Laboratory, Didcot OX11 0FA, England.ORCID https://orcid.org/0000-0002-2134-182X
Luis Fuentes-MonteroDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Richard J GildeaDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Garib N MurshudovLaboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH, England.ORCID https://orcid.org/0000-0001-6483-3587
Gwyndaf EvansDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.ORCID https://orcid.org/0000-0002-6079-2201

Funding

Medical Research Council MC_UP_A025_1012
6 · The paper itself

Abstract

An algorithm for modelling the background for each Bragg reflection in a series of X-ray diffraction images containing Debye-Scherrer diffraction from ice in the sample is presented. The method involves the use of a global background model which is generated from the complete X-ray diffraction data set. Fitting of this model to the background pixels is then performed for each reflection independently. The algorithm uses a static background model that does not vary over the course of the scan. The greatest improvement can be expected for data where ice rings are present throughout the data set and the local background shape at the size of a spot on the detector does not exhibit large time-dependent variation. However, the algorithm has been applied to data sets whose background showed large pixel variations (variance/mean > 2) and has been shown to improve the results of processing for these data sets. It is shown that the use of a simple flat-background model as in traditional integration programs causes systematic bias in the background determination at ice-ring resolutions, resulting in an overestimation of reflection intensities at the peaks of the ice rings and an underestimation of reflection intensities either side of the ice ring. The new global background-model algorithm presented here corrects for this bias, resulting in a noticeable improvement in

Indexed as

AUSPEXdata analysisdata processingdata qualityDIALSice ringsprotein structurerefinementX-ray crystallographyX-ray diffraction

Identifiers

PMID28989718
PMCPMC5619854

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.