WES uses Table2a for this information. This file may also be saved as Table of Molecular Packing Analysis. This file is used in the initial stages of defining the unit cell and lattice for a crystal. Summary file from the first of two data processing programs. The file contains the unit cell dimensions used for the data processing, background count time, the space group as well as the Laue group no.
Summary gives the number of reflections processed and some statistics for the data.
The space group extinctions are removed from the data during the processing and the summary shows the average intensity for a space group extinction as well as the maximum value observed for an extinction. The file of space group extinctions is data1.ext. This file contains the results of the data averaging process. The R for the merging of equivalent reflections is given for all equivelent data and also for the equivalent data that are considered observed. It contains the max.