Re: [phenixbb] xtriage

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 ), noise is <sigma>, signal is sqrt(<(Fderiv-Fnative)**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 :

...

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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