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If the mtz file to be used for reference data set creation contains three digit reflection indices with negative signs (e.g., -102), the output from the original script will not be recognizable to XDS due to lack of space between reflection indices. An alternative method using mtz2various (below) avoids this issue. | If the mtz file to be used for reference data set creation contains three digit reflection indices with negative signs (e.g., -102), the output from the original script will not be recognizable to XDS due to lack of space between reflection indices. An alternative method using mtz2various (below) avoids this issue. | ||
!FORMAT=XDS_ASCII | |||
!END_OF_HEADER | |||
1 0 4 48445. 983.361 | |||
1 0 5 2124.59 283.825 | |||
1 0 6 17955. 493.356 | |||
1 0 7 19328. 510.718 | |||
1 0 8 87172. 3437.40 | |||
... | |||
... | |||
!END_OF_DATA | |||
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