2023
DOI: 10.1107/s1600576723004764
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Progress in detection of and correction for low-energy contamination

Slawomir Domagala,
Petrick Nourd,
Kay Diederichs
et al.

Abstract: 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), Crystallogr. Rev. … Show more

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