I am a bit confused - my graphs have the X axis labelled in As? but are
you looking at the actual numbers?
For me the log files have the label $$ 1/resol^2 obs all $$
1/resol^2 does equal 4 sinsq/lamdasq
The output fits this equation: ie K and 2B are determined for the
intensities;
F(absolute)**2 = SCALE*F(observed)**2*EXP(-B*2*SINTH**2/L**2)
"suggested B factor" relates to amplitudes..
Eleanor
Matt Warkentin wrote:
> hi all
>
> i'm confused about truncate's Wilson plot output.
>
> i'm running truncate version 6.1: 28/03/08
>
> in particular:
>
> a) the wilson plot displayed in the output file has as the horizontal
> axis LABEL: 4 sinsq/lamdasq (i.e. 4 s^2) (times 100, forget about
> that for the moment)
>
> b) the TICK MARKS on the horizontal axis appear to be just s^2
> (again, times 100, forget that), but no factor of 4.
>
> c) the reported LSQ Line Gradient (wilson B-factor) would seem to have
> been calculated from
>
> ln K ~ -B s^2
>
> but i thought the B factor is defined as in:
>
> ln K ~ -2 B s^2
>
> that is, it would seem that truncate is reporting a B factor that is
> twice what it should be, and the axis label is also inconsistent,
> having an extra factor of 4 (this appears throughout the truncate
> documentation though, so i wonder if i'm not missing something.
>
> thanks!
>
>
>
|