Evidence map›Paper›PMID 40476304›Full record

ArticleIUCrJ2025

Models of thermal motion in small-molecule crystallography.

Anna Hoser, Anders Ø Madsen

Abstract read
In one paragraph

Article in IUCrJ, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

2 authors.

Anna HoserFaculty of Chemistry, University of Warsaw, Pasteura 1, Warsaw 02-093, Poland.ORCID 0000-0002-6799-3073
Anders Ø MadsenDepartment of Pharmacy, University of Copenhagen, Copenhagen, Denmark.

Funding

Natur og Univers, Det Frie Forskningsråd 3103-00222BVillum Fonden VKR023450
6 · The paper itself

Abstract

The Debye-Waller factor, introduced a century ago, remains a fundamental component in the refinement of crystal structures against X-ray, neutron and electron diffraction data. This review marks its centenary by exploring its applications in small-molecule crystallography. We provide a historical overview of the development of the Debye-Waller factor and its foundations in lattice dynamics. The review discusses the practical use of anisotropic displacement parameters and their role in accurate structure determination. We also address the challenges and advancements in modelling thermal motion and disorder, the role of multi-temperature measurements and modern computational approaches.

Indexed as

anisotropic displacement parameterscharge, spin and momentum densitiescomputational modellingDebye–Waller factordynamical simulationslattice dynamicsmolecular crystalsnormal-mode refinementpharmaceutical solidsthermal motion

Identifiers

PMID40476304
PMCPMC12224083

What OpenQuestion holds

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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.