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

[Clemens Vonrhein]

Dear Hari,

up to the last but one cycle we're donig solvent flipping and for the
last cycle solvent flattening. For 50% solvent the flipping factor is
exactly -1. See:

  https://www.globalphasing.com/sharp/manual/denmod1.html#MethodsSolventFlipping

With solvent flattening you start introducing bias (which is the
reason for doing solvent flipping for all other cycles), but the maps
look a bit nicer, i.e. 'flat' in the solvent.

If you want to compare statistics between different SHARP/autoSHARP
runs: always use the values from the last but one cycle (usually in
bold). For hand-detection I would rather look at the values from the
first cycle (which is what autoSHARP does anyway).


Cheers

Clemens

On Wed, Sep 23, 2009 at 11:08:03AM -0400, hari jayaram wrote:
> 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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