[sharp-discuss] Reason for Jump in correlation coefficient on|E|**2 during last cycle of phase improvement

hari jayaram harijay at gmail.com
Wed Sep 23 17:08:03 CEST 2009


I was wondering what the reason is for the Jump in the correlation
coefficient on |E|**2 values between the last but one cycle and the last
cycle.
For eg I have the values

*Cycle 112* :     Radius =  4.0000  I(1) = 0.3747  I(2) = 0.3755  I(3)
= 0.3700  I(4) = *0.6883*
            Resolution =  4.0000  Solv. Frac. = 0.500  Flip = -1.0000

*Cycle 113* :     Radius =  4.0000  I(1) = 0.3746  I(2) = 0.2467  I(3)
= 0.2420  I(4) = 0.8994
            Resolution =  4.0000  Solv. Frac. = 0.500  Flip =  0.0000


Is solvent flipping only done after cycle 112 as indicated by Flip = -1
going to Flip 0

Thanks for your help
Hari
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