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!
