International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 5.3, p. 505
Section 5.3.3.3.1.1. The control window
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International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England |
Because HICCuP was designed as an interactive tool, upon invocation it presented to the user a control window from which CIFs could be selected for analysis and in which summary results of the program's operations were logged. Fig. 5.3.3.8 shows an example of the control window after a single CIF has been loaded.
In the large frame below the file-entry field are listed the data blocks found by the program. The names are highlighted in various colours according to the highest level of severity of errors found within the corresponding data block.
Because the utility was designed for processing large amounts of CIF data for structural databases, it was considered useful to supply a compact visual indicator of the progress of the program through a large file. This takes the form of a grid of rectangular cells, one column for each data block present. Each column contains three cells, which monitor the performance of checks on the file syntax, conformance against a CIF dictionary, and other checks specific to the requirements of the Cambridge Crystallographic Data Centre. As each data block was checked, the corresponding cells were coloured according to the types of error found. Different colours were used to indicate: no errors; structure errors in the initial syntax tests; dictionary errors; or a deviation from certain conventions used by journals and databases in naming datablocks.
The large frame at the bottom of the control window provides a text summary of the same information, listing the number of errors found.
Check boxes and an `Options…' button allowed some configurability of checks by the user.