Agilent Technology has announced that users of its crystallography data collection and processing software package, Crysalispro, can now perform pre-experiment reduced cell checks directly.
CellcheckCSD, developed for automated use through Crysalispro, enables users to check their pre-experiment unit cell against the Cambridge Structural Database - claimed to be 'the world's repository of small molecule crystal structures', before collecting a full diffraction dataset.
This will allow quick evaluation of whether a new crystal sample has been published before and help to identify situations where starting materials or a reaction by-product have been crystallised by accident.
The aim is to avoid wasting any valuable diffractometer time due to unintentional collection of a full dataset for a known crystal structure.
