mtzdump hklin foo.mtz
MTZDUMP is used to give a file dump of a standard `MTZ' reflection data file. The file header information is printed followed by a summary of the reflection data which gives, for each data column, the following information:
The completeness column in the statistical header information calculates the percentage of measured reflections over the total number in the file (where a measured reflection is anything which is not a Missing Number Flag (MNF)). This is NOT necessarily the completeness of the data to the maximum resolution. In order for this to be the case you must use the uniqueify script to generate a complete set of indices to the maximum resolution.
The summary is followed by a compact but tabulated listing of the individual reflection data. The output format depends on the HKLIN type and also the options specified. If the data is real then the format depends on the size of the number. The largest value that can be written is 99999999. Missing data, represented internally in the MTZ file by a MNF, are listed as '?'. This makes the the output from MTZDUMP very difficult to read fortranically as an ASCII file. Use MTZ2VARIOUS to produce an ASCII file from MTZ.
`mtzdmp' (no `u') is a Unix script (in $CETC) that takes as argument a file name (with extension defaulting to .mtz) and optional other arguments and runs mtzdump. This is a useful abbreviation and allows, for instance, piping the output through `more'. Note that not all options available for mtzdump are available for mtzdmp. See below.
All keyworded input is optional.
BATCH, END, GO, HEADER, LRESO, NREFLECTIONS, RESOLUTION, RUN, SKIP, STARTHKL, STATS, SYMMETRY
There is a shell script for running mtzdump as mtzdmp <filename> [options] (in $CETC). This script obviates the necessity of printing hklin on the command line as well as being able to input keyword information on the command line as in the examples below. Type "mtzdmp -h" for listing of options.
mtzdmp File_Name -n Number : number of hkl to dump (def 10) mtzdmp File_Name -e : print header information only mtzdmp File_Name -b : dump BATCH headers mtzdmp File_Name -s : dump SYMMETRY info mtzdmp File_Name -bs (-sb) : dump both SYMM and BATCH mtzdmp File_Name -r Rmax (Rmin) : resolution limits mtzdmp File_Name -i : Interactive
Eleanor Dodson and Sandra McLaughlin
Following examples in directory $CEXAM/unix/runnable :