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The file XDS_ASCII.HKL actually has all 531700 reflections. | The file XDS_ASCII.HKL actually has all 531700 reflections. | ||
=== Notes === | |||
How to calculate Rpim from the numbers in the table: take the Rmeas value and divide by the square root of the multiplicity. The multiplicity is the number of observations divided by the number of unique reflections. Example: the table above shows Rmeas of 33.5% overall, observed 515976 overall, with 173389 uniques. Thus Rpim = 33.5% / SQRT(515976/173389) = 19.4% . |