Tom

This is great. 

Do you have a table from a good derivative?

Thanks

FR

On Aug 12, 2009, at 11:59 AM, Tom Terwilliger wrote:

Hi Francis,

You can say:

phenix.autosol native.data=native.sca deriv.data=deriv.sca

 and wait a couple minutes until it has scaled the data (once it says "RUNNING HYSS" you are far enough) 

and then have a look at 

AutoSol_run_1_/TEMP0/dataset_1_scale.log

which will say near the end..

 isomorphous differences derivs            1  - native

 Differences by shell:

  shell   dmin    nobs      Fbar      R     scale    SIGNAL  NOISE   S/N

    1     5.000   137      29.235     0.007   1.000   0.00   0.46   0.00

    2     3.750   201      20.277     0.011   1.000   0.09   0.31   0.31

    3     3.500    69      16.565     0.010   1.000   0.00   0.25   0.00

    4     3.312    80      14.804     0.009   1.000   0.00   0.23   0.00

    5     3.125    78      14.174     0.008   1.000   0.00   0.23   0.00

    6     3.000    81      12.567     0.010   1.000   0.00   0.20   0.00

    7     2.875    88      12.677     0.009   1.000   0.00   0.19   0.00

    8     2.750    94      11.249     0.012   1.000   0.09   0.18   0.47

    9     2.625   136      11.555     0.011   1.000   0.00   0.19   0.00

   10     2.500   126       9.975     0.011   1.000   0.00   0.17   0.00

 Total:          1090      16.085     0.010   1.000   0.00   0.27   0.10

(which in this particular case are not useful!)

Here R is <Fderiv-Fnative>/(2 <Fderiv+Fnative>), noise is <sigma>, 

signal is sqrt(<(Fderiv-Fnative)**2>-<sigma**2>), and S/N is the ratio of signal to noise.

All the best,

Tom T

On Aug 12, 2009, at 11:47 AM, Peter Zwart wrote:

I suggest using some phenix.solve utilities.

xtriage isn't geared towards isomorphous diferences.

Cheers

Peter

2009/8/12, Francis E Reyes <[email protected]>:

Hi all

I love the fact that xtriage can measure anomalous signal, but can it

also do a quick check for isomorphous differences (with and without

anomalous signal) similar to scalepack? Is there a phenix utility that

can do this?

Thanks

FR

---------------------------------------------

Francis Reyes M.Sc.

215 UCB

University of Colorado at Boulder

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Francis Reyes M.Sc.
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University of Colorado at Boulder

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