REFINDEX (CCP4: Unsupported Program)
NAME
refindex - reindex dataset maximising correlation with reference datasetSYNOPSIS
refindex HKLIN1 working.mtz HKLIN2 reference.mtz HKLOUT output.mtzDESCRIPTION
"refindex" automatically re-indexes an MTZ dataset to a reference dataset. First, the required reindexing operator is found by maximising the correlation coefficient between the two datasets against all possible reindexings of the working dataset. Then, if the reindexing operator is not H, K, L, the reindexing is applied to the working dataset and the result output to a new file.INPUT AND OUTPUT FILES
The following input and output files are used by the program:Input Files:
- HKLIN1
- Input MTZ file containing the dataset to be re-indexed. The required column labels are hardwired as F & SIGF
- HKLIN2
- Input MTZ file containing the dataset to be used as a reference. The required column labels are hardwired as F & SIGF
Output Files:
- HKLOUT
- Output file that contains the reindexed dataset. If no indexing is necessary then no output file is produced.
PROBLEMS
The program takes no account of phases, H-L coefficients, anomalous differences, F+/F- or I+/I- which it would have to for full generality. After changing the indices where necessary all other columns are simply copied to the output MTZ file without modification. The program reindex will handle anomalous data.SEE ALSO
almn - will identify reindexing operator from cross rotation function
reindex - will reindex dataset once reindexing operation is known