A correction is made to the article by van Genderen et al. [Acta Cryst. (2016), A72, 236–242].
Keywords: electron nanocrystallography, Timepix quantum area detector, carbamazepine, nicotinic acid, electron diffraction structure determination
Abstract
Corrections are made to Table 1 in the article by van Genderen et al. [Acta Cryst. (2016), A72, 236–242].
In the article by van Genderen et al. (2016 ▸), the scattering factors used in the refinements and in the CIF file were for X-ray scattering rather than for electron scattering. The correct scattering factors have now been used and the statistics that were affected by this error (model statistics R complete, R1 and wR2) have been recalculated.
This affects six entries in Table 1 ▸ of the original publication. The correct values are given here. The corrected CIF and supporting information are also made available.
Table 1. Corrected statistics.
| Carbamazepine | Nicotinic acid | |
|---|---|---|
| Refinement statistics | ||
| R complete † | 31.8 | 37.7 |
| R1 (%) | 27.9 | 34.1 |
| wR2 (%) | 55.2 | 60.1 |
Luebben & Gruene (2015 ▸).
Supplementary Material
Crystal structure: contains datablock(s) global, carbamazepine_single, carbamazepine_5x-merged, nicotinic_acid_single, nicotinic_acid_2x-merged. DOI: 10.1107/S2053273318014079/td9026sup1.cif
Supporting information file. DOI: 10.1107/S2053273318014079/td9026sup2.pdf
Acknowledgments
The authors are grateful to Professor Ton Spek, Utrecht University, The Netherlands, for alerting them to this error.
References
- Genderen, E. van, Clabbers, M. T. B., Das, P. P., Stewart, A., Nederlof, I., Barentsen, K. C., Portillo, Q., Pannu, N. S., Nicolopoulos, S., Gruene, T. & Abrahams, J. P. (2016). Acta Cryst. A72, 236–242. [DOI] [PMC free article] [PubMed]
- Luebben, J. & Gruene, T. (2015). Proc. Natl Acad. Sci. USA, 112, 8999–9003. [DOI] [PMC free article] [PubMed]
Associated Data
This section collects any data citations, data availability statements, or supplementary materials included in this article.
Supplementary Materials
Crystal structure: contains datablock(s) global, carbamazepine_single, carbamazepine_5x-merged, nicotinic_acid_single, nicotinic_acid_2x-merged. DOI: 10.1107/S2053273318014079/td9026sup1.cif
Supporting information file. DOI: 10.1107/S2053273318014079/td9026sup2.pdf