Evidence map›Paper›PMID 35719299›Full record

ArticleJournal of applied crystallography2022

Tim Gruene, Max T B Clabbers, Jens Luebben, Jia Min Chin, Michael R Reithofer, Frank Stowasser, André M Alker

Open access · hybridAbstract read
In one paragraph

Article in Journal of applied crystallography, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
0.3field-weighted citation impact, top 55% of its field
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

3 citing papers in PubMed, 4 citations in OpenAlex.

  1. Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
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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 at 4 institutions in 4 countries.

Tim GrueneInstitute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Austria.ORCID https://orcid.org/0000-0002-8873-4978
Max T B ClabbersDepartment of Materials and Environmental Chemistry, Stockholm University, Sweden.ORCID https://orcid.org/0000-0002-5466-6508
Jens LuebbenBruker AXS, Germany.
Jia Min ChinInstitute of Inorganic Chemistry - Functional Materials, Faculty of Chemistry, University of Vienna, Austria.
Michael R ReithoferInstitute of Inorganic Chemistry, Faculty of Chemistry, University of Vienna, Austria.ORCID https://orcid.org/0000-0002-6328-1896
Frank StowasserRoche Pharma Research and Early Development, Basel, Switzerland.
André M AlkerRoche Pharma Research and Early Development, Basel, Switzerland.
University of Vienna · ATRoche (Switzerland) · CHBruker (Germany) · DEStockholm University · SE

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Electron diffraction enables structure determination of organic small molecules using crystals that are too small for conventional X-ray crystallography. However, because of uncertainties in the experimental parameters, notably the detector distance, the unit-cell parameters and the geometry of the structural models are typically less accurate and precise compared with results obtained by X-ray diffraction. Here, an iterative procedure to optimize the unit-cell parameters obtained from electron diffraction using idealized restraints is proposed. The cell optimization routine has been implemented as part of the structure refinement, and a gradual improvement in lattice parameters and data quality is demonstrated. It is shown that cell optimization, optionally combined with geometrical corrections for any apparent detector distortions, benefits refinement of electron diffraction data in small-molecule crystallography and leads to more accurate structural models.

Indexed as

compensation for experimental and instrumental errorscrystal structure determinationelectron diffractionprecision of unit-cell parameters

Identifiers

PMID35719299
PMCPMC9172032
OpenAlexW4225144365

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.