ARCHIVE CIF

The program ARCHIVE CIF will extract (as automatically as possible) all the CIF data items which are present in the request file ARCHIVE.DAT (normally resident in directory c:\wingx\files). This information will be obtained from the PRIMARY CIF (usually the file name.CIF written by SHELXL using the ACTA command) and as many SECONDARY CIF's as requested. These SECONDARY CIF's will normally be STRUCT.CIF, DREDUC.CIF, ASBORB.CIF (PSI_SCAN.CIF, DIFABS.CIF, XABS2.CIF), STDANAL.CIF, which provide information not available to SHELXL. e.g. the colour of the crystal, and information about the data processing.

NOTE that information will ONLY be extracted from a CIF if the name found in the data_ statement is the same as the compound ID (this is designed to prevent spurious information from being extracted from an irrelevant CIF).

If the program ARCHIVE CIF cannot find the data item in any CIF, then the user is requested to key in the missing information. A file ARCHIVE.CIF is written, which should be a complete record of the structural analysis.

NOTE This program WILL extract looped items and text items of data, unlike the tables generating program CIF TABLES, and so should be used in preference to create an archive CIF.