Evidence map›Paper›PMID 28876236›Full record

ArticleActa crystallographica. Section D, Structural biology2017

AUSPEX: a graphical tool for X-ray diffraction data analysis.

Andrea Thorn, James Parkhurst, Paul Emsley, Robert A Nicholls, Melanie Vollmar, Gwyndaf Evans, Garib N Murshudov

Abstract read
In one paragraph

Article in Acta crystallographica. Section D, Structural biology, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing 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

12 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. The CCP4 suite: integrative software for macromolecular crystallography.Acta crystallographica. Section D, Structural biology · 2023
    Article
  5. Article
  6. Article
  7. Detecting ice artefacts in processed macromolecular diffraction data with machine learning.Acta crystallographica. Section D, Structural biology · 2022
    Article
  8. Article
  9. Ice in biomolecular cryocrystallography.Acta crystallographica. Section D, Structural biology · 2021
    Article
  10. Article
  11. Article
  12. 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

7 authors.

Andrea ThornHamburg Centre for Ultrafast Imaging, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
James ParkhurstDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Paul EmsleyMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England.
Robert A NichollsMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England.
Melanie VollmarDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Gwyndaf EvansDiamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
Garib N MurshudovMRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH, England.

Funding

Medical Research Council MC_UP_A025_1012Science and Technology Facilities Council PR140014Seventh Framework Programme 283570Seventh Framework Programme 330033
6 · The paper itself

Abstract

In this paper, AUSPEX, a new software tool for experimental X-ray data analysis, is presented. Exploring the behaviour of diffraction intensities and the associated estimated uncertainties facilitates the discovery of underlying problems and can help users to improve their data acquisition and processing in order to obtain better structural models. The program enables users to inspect the distribution of observed intensities (or amplitudes) against resolution as well as the associated estimated uncertainties (sigmas). It is demonstrated how AUSPEX can be used to visually and automatically detect ice-ring artefacts in integrated X-ray diffraction data. Such artefacts can hamper structure determination, but may be difficult to identify from the raw diffraction images produced by modern pixel detectors. The analysis suggests that a significant portion of the data sets deposited in the PDB contain ice-ring artefacts. Furthermore, it is demonstrated how other problems in experimental X-ray data caused, for example, by scaling and data-conversion procedures can be detected by AUSPEX.

Indexed as

SoftwareAlgorithmsArtifactsDatabases, ProteinIceModels, MolecularProtein ConformationProteinsX-Ray DiffractionIceProteinsAUSPEXdata analysisdata processingdata qualityice ringsmacromolecular crystallographyX-ray diffraction

Identifiers

PMID28876236
PMCPMC5586246

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.