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Xdsconv: Difference between revisions
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→explanation of typical output
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MERGE=TRUE | MERGE=TRUE | ||
NUMBER OF REFLECTION RECORDS ON INPUT FILE 217611 ! observations ("spots") | NUMBER OF REFLECTION RECORDS ON INPUT FILE 217611 ! observations ("spots") | ||
NUMBER OF IGNORED REFLECTIONS (I< -3.0*SIGMA) 0 | NUMBER OF IGNORED REFLECTIONS (I< -3.0*SIGMA) 0 ! merged (unique) reflections, Friedels counted separately | ||
NUMBER OF REFLECTIONS ACCEPTED FROM INPUT FILE 23155 | NUMBER OF REFLECTIONS ACCEPTED FROM INPUT FILE 23155 ! merged (unique) reflections, Friedels counted separately | ||
NUMBER OF UNIQUE REFLECTIONS ASSIGNED TO TEST SET 0 | NUMBER OF UNIQUE REFLECTIONS ASSIGNED TO TEST SET 0 | ||
| Line 54: | Line 54: | ||
NUMBER OF UNIQUE TEST REFLECTIONS NEWLY GENERATED 0 | NUMBER OF UNIQUE TEST REFLECTIONS NEWLY GENERATED 0 | ||
NUMBER OF REFLECTION RECORDS ON OUTPUT FILE 12264 | NUMBER OF REFLECTION RECORDS ON OUTPUT FILE 12264 ! merged (unique) reflections; a Friedel pair is counted as one reflection for the MTZ file | ||
NUMBER OF RECORDS ASSIGNED TO WORKING SET 12264 | NUMBER OF RECORDS ASSIGNED TO WORKING SET 12264 ! but since each unique reflection is stored with its anomalous signal no information is lost | ||
NUMBER OF RECORDS ASSIGNED TO TEST SET 0 | NUMBER OF RECORDS ASSIGNED TO TEST SET 0 | ||
</pre> | </pre> | ||
'''Obviously, the meaning of the word "reflection" differs between the output lines; some explanation is given after the exclamation mark. | |||
''' | |||
== how to obtain a MTZ file with DANO SIGDANO F(+) SIGF(+) F(-) SIGF(-) == | == how to obtain a MTZ file with DANO SIGDANO F(+) SIGF(+) F(-) SIGF(-) == | ||