Progress in detection of and correction for low-energy contamination.
data quality metrics
flawed standard uncertainties
low-energy contamination
robust metrics
systematic errors
Journal
Journal of applied crystallography
ISSN: 0021-8898
Titre abrégé: J Appl Crystallogr
Pays: United States
ID NLM: 9876190
Informations de publication
Date de publication:
01 Aug 2023
01 Aug 2023
Historique:
received:
10
01
2023
accepted:
30
05
2023
medline:
9
8
2023
pubmed:
9
8
2023
entrez:
9
8
2023
Statut:
epublish
Résumé
Contamination with low-energy radiation leads to an increased number of weighted residuals being larger in absolute terms than three standard uncertainties. For a Gaussian distribution, these rare events occur only in 0.27% of all cases, which is a small number for small- to medium-sized data sets. The correct detection of rare events - and an adequate correction procedure - thus relies crucially on correct standard uncertainties, which are often not available [Henn (2019),
Identifiants
pubmed: 37555226
doi: 10.1107/S1600576723004764
pii: S1600576723004764
pmc: PMC10405589
doi:
Types de publication
Journal Article
Langues
eng
Pagination
1200-1220Informations de copyright
© Slawomir Domagala et al. 2023.
Références
IUCrdata. 2021 Jul 20;6(Pt 7):x210735
pubmed: 36340658
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Aug 1;75(Pt 4):657-673
pubmed: 32830722
Acta Crystallogr A. 2013 Nov;69(Pt 6):549-58
pubmed: 24132216
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2018 Oct 1;74(Pt 5):416-426
pubmed: 30297547
Acta Crystallogr A. 2009 Jul;65(Pt 4):319-21
pubmed: 19535853
IUCrdata. 2021 Feb 12;6(Pt 2):x210153
pubmed: 36338858
IUCrdata. 2021 Sep 24;6(Pt 9):x210988
pubmed: 36338944
IUCrdata. 2021 May 14;6(Pt 5):x210500
pubmed: 36338267
IUCrdata. 2021 Jun 30;6(Pt 6):x210674
pubmed: 36337322
IUCrdata. 2021 Apr 09;6(Pt 4):x210318
pubmed: 36339101
IUCrdata. 2021 Nov 16;6(Pt 11):x211195
pubmed: 36337467
IUCrdata. 2021 Jan 29;6(Pt 1):x210083
pubmed: 36340471
IUCrdata. 2021 Jan 29;6(Pt 1):x210093
pubmed: 36340472
IUCrdata. 2021 May 25;6(Pt 5):x210539
pubmed: 36338272
IUCrdata. 2021 Jan 29;6(Pt 1):x210085
pubmed: 36340469
Acta Crystallogr A Found Adv. 2014 Sep;70(Pt 5):499-513
pubmed: 25176997
FEBS J. 2014 Sep;281(18):4046-60
pubmed: 25040949
IUCrdata. 2021 Oct 13;6(Pt 10):x211016
pubmed: 36340984
IUCrdata. 2021 Apr 13;6(Pt 4):x210379
pubmed: 36339106
IUCrdata. 2021 Sep 28;6(Pt 9):x210982
pubmed: 36338947
IUCrdata. 2021 Jun 15;6(Pt 6):x210590
pubmed: 36337328
IUCrdata. 2021 Nov 04;6(Pt 11):x211142
pubmed: 36337466
IUCrdata. 2021 Sep 17;6(Pt 9):x210950
pubmed: 36338949
IUCrdata. 2021 Dec 09;6(Pt 12):x211295
pubmed: 36337591
IUCrdata. 2021 Jul 13;6(Pt 7):x210693
pubmed: 36340661
IUCrdata. 2021 Jan 05;6(Pt 1):x201663
pubmed: 36340467
J Appl Crystallogr. 2015 Jan 30;48(Pt 1):3-10
pubmed: 26089746
Acta Crystallogr A Found Adv. 2014 May;70(Pt 3):248-56
pubmed: 24815974
IUCrdata. 2021 Jan 29;6(Pt 1):x210096
pubmed: 36340475
IUCrdata. 2021 Feb 02;6(Pt 2):x210094
pubmed: 36338856
Acta Crystallogr A Found Adv. 2016 Nov 1;72(Pt 6):696-703
pubmed: 27809209
IUCrdata. 2021 Feb 26;6(Pt 2):x210210
pubmed: 36338860