LCELLS is a software for automatic unit cell parameters
collection from existing INS and CIF files. The software development was
initiated by the fact that there is a long period of time between data
collection and its publishing. The creation of a database manually is alright
when it is synchronised with the data collection process, but if there are many
datasets already present, it becomes boring.
I know one example when due to simple mistakes data for one compound was collected three times within a few days. Thus, preventing data collection for already processed compounds is the main issue of LCELLS.
The purpose of this webpage is to provide access to some resources, used in LCELLS. However, these classes were written with use of such Borland VCL classes as AnsiString, TList and TStringList and in order to use them in an application these should be either replaced with equivalents or VCL should be used.
|CellReduction||a function performing cell reduction1|
|ZipShell||a C++ class used for the implementation of ZIP archives processing to the software|
|CifFile||a C++ class for reading and editing CIF files|
1. Krivy, I. & Gruber, B. (1976). Acta Cryst. A32, 297-298.