News & Publications

News, updates, scientific publications and selected references from DataQ Intelligence.

News

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Publications

1. J. Henn, P. Macchi, T. Rekis, “Mean weighted residuals reveal systematic overestimation of Bragg intensities in single-crystal diffraction”, J. Appl. Cryst., 2026, 59, https://doi.org/10.1107/S1600576726003110
2. J. Henn, “BayCoN Plots and Systematic Errors in Single-Crystal Diffraction Experiments”, Crystals, 2025, 15, 1014, https://doi.org/10.3390/cryst15121014
3. J. Henn, “Incomplete Absorption Correction Results in an Increased Positive Mean Value of Weighted Residuals”, Crystals, 2025, 15, 898, https://doi.org/10.3390/
   cryst15100898
4. J. Henn, “Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap”, J. Appl. Cryst., 2025, 58, https://doi.org/10.1107/S1600576725004376
5. J. Henn, “Bias caused by a popular weighting scheme”, J. Appl. Cryst., 2025, 58, https://doi.org/10.1107/S1600576724011889
6. S. Domagała, P. Nourd, K. Diederichs, J. Henn, “Progress in detection of and correction for low-energy contamination”, J. Appl. Cryst., 2023, 56, 1200-1220, https://doi.org/10.1107/S1600576723004764
7. J. Henn, “Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones”, Crystallogr. Reviews, 2019, 25, 83-156, https://doi.org/10.1080/0889311X.2019.1607845
8. J. Henn*, “On predicted R factors for dynamic structure crystallography”, Z. Krist., 2018, 233, 696-703, https://doi.org/10.1515/zkri-2018-2078
9. J. Henn*, “An alternative agreement factor”, Acta Cryst., 2016, A72, 696-703, https://doi.org/10.1107/S2053273316013206
10. J. Henn*, “An application of negative powers of Poisson numbers in crystallography”, Intern. J. Mater. Chem. and Phys., 2016, 2(2), 50-53. Open source, download pdf at http://files.aiscience.org/journal/article/pdf/70130079.pdf
11. J. Henn*, K. Meindl, “Two common sources of systematic errors in charge density studies”, Intern. J. Mater. Chem. and Phys., 2015, 1(3), 417-430. Open source, download pdf at http://files.aiscience.org/journal/article/pdf/70130081.pdf
12. J. Henn*, K. Meindl, “Statistical tests against systematic errors in data sets based on the equality of residual means and variances from control samples: theory and applications”, Acta Cryst., 2015, A71, 203-211,
    https://doi.org/10.1107/S2053273314027363
13. J. Henn*, K. Meindl, “More About Systematic Errors in Charge Density Studies”, Acta Cryst., 2014, A70, 499-513, https://doi.org/10.1107/S2053273314012984
14. J. Henn*, K. Meindl, “About Systematic Errors in Charge Density Studies”, Acta Cryst., 2014, A70, 248-256, https://doi.org/10.1107/S2053273314000898
15. J. Henn*, A. Schönleber, “More about residual values”, Acta Cryst., 2013, A69, 549-558, https://doi.org/10.1107/S0108767313022514
16. J. Henn*, “Expectation values for integer powers of a Poisson-distributed random number”, Acta Cryst., 2012, A68, 703-304, https://doi.org/10.1107/
    S010876731203200X
17. J. Henn*, K. Meindl, “Response to On the significance of Bragg reflections by Jorgensen et al.”, Acta Cryst., 2012, A68, 301-303, https://doi.org/10.1107/
    S010876731200325X
18. J. Henn*, K. Meindl, “Is there a fundamental upper limit for the significance I/sigma(I) of observations from X-ray and neutron diffraction experiments?”, Acta Cryst., 2010, A66, 676-684, https://doi.org/10.1107/S0108767310038808
19. K. Meindl*, J. Henn, “Foundations of residual-density analysis”, Acta Cryst., 2008, A64, 404-418, https://doi.org/10.1107/S0108767308006879