A program for processing diffraction data of non-merohedrally twinned crystals

database, nuove specie, discrediti,
ridefinizioni, classificazioni, ecc.
Rispondi
Avatar utente
Marco E. Ciriotti
Messaggi: 25339
Iscritto il: ven 25 giu, 2004 11:31
Località: via San Pietro, 55 I-10073 Devesi/Cirié TO - Italy
Contatta:

A program for processing diffraction data of non-merohedrally twinned crystals

Messaggio da Marco E. Ciriotti » mer 30 gen, 2019 10:49

Prossima pubblicazione

Referenza:
▪ Ivlev, S.I., Conrad, M., Krau, F. (2019): HKLF5Tools: a program for processing diffraction data of non-merohedrally twinned crystals. Zeitschrift für Kristallographie - Crystalline Materials, 234, (in press).

Abstract:
The HKLF5Tools program provides useful tools for structure refinement against non-merohedrally twinned datasets. The software shows statistical information on each twin component, can delete or rename twin components, merge reflection data, and add an inversion twin component to any of the existing twin components. Also, the software can convert ShelXL FCF files into HKL reflection files so that refinement against detwinned data in the final stages of the refinement becomes possible.
Marco E. Ciriotti

«Things are interesting only in so far as they relate themselves to other things»

Rispondi

Chi c’è in linea

Visitano il forum: Bing [Bot] e 1 ospite