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Item _phasing_MIR_shell.R_kraut

Description

              Residual factor R~kraut~ for general reflections in this shell.

                          sum|Fph~obs~ - Fph~calc~|
               R~kraut~ = -------------------------
                                sum|Fph~obs~|

               Fph~obs~  = the observed structure-factor amplitude of the
                           derivative
               Fph~calc~ = the calculated structure-factor amplitude of the
                           derivative

               sum is taken over the specified reflections

               Ref: Kraut, J., Sieker, L. C., High, D. F. & Freer, S. T.
                    (1962). Proc. Natl Acad. Sci. USA, 48, 1417-1424.

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