Evidence map›Paper›PMID 35572759›Full record

ReviewACS omega2022

Strategies and Considerations for Least-Squares Analysis of Total Scattering Data.

Carolyne Chepkemboi, Kyle Jorgensen, Janell Sato, Geneva Laurita

Abstract readReview
In one paragraph

Review in ACS omega, 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
–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

3 citing papers in PubMed.

  1. Review
  2. Distinguishing isotropic and anisotropic signals for X-ray total scattering using machine learning.Acta crystallographica. Section A, Foundations and advances · 2025
    Article
  3. Journal of applied crystallography · 2024
    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

4 authors.

Carolyne ChepkemboiDepartment of Chemistry and Biochemistry, Bates College, Lewiston, Maine 04240-6020, United States.
Kyle JorgensenDepartment of Chemistry and Biochemistry, Bates College, Lewiston, Maine 04240-6020, United States.
Janell SatoDepartment of Chemistry and Biochemistry, Bates College, Lewiston, Maine 04240-6020, United States.
Geneva LauritaDepartment of Chemistry and Biochemistry, Bates College, Lewiston, Maine 04240-6020, United States.ORCID https://orcid.org/0000-0001-9577-150X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The process of least-squares analysis has been applied for decades in the field of crystallography. Here, we discuss the application of this process to total scattering data, primarily in the combination of least-squares Rietveld refinements and fitting of the atomic pair distribution function (PDF). While these two approaches use the same framework, the interpretation of results from least-squares fitting of PDF data should be done with caution through carefully constructed analysis approaches. We provide strategies and considerations for applying least-squares analysis to total scattering data, combining both crystallographic Rietveld and fitting of PDF data, given in context with recent examples from the literature. This perspective is aimed to be an accessible document for those new to the total scattering approach, as well as a reflective framework for the total scattering expert.

Identifiers

PMID35572759
PMCPMC9089679

What OpenQuestion holds

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LicenceCC BY-NC-ND
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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.