Hi Ville,
it actually does not affect the quality of the Rcomplete value that I am
computing, so from my point of you this discussion was rather a matter of
interest and you should only invest time in case someone else has a reason.
Best regards,
Tim
On Tuesday 31 January 2017 03:54:09 PM Ville Uski wrote:
> Hi Tim
>
> thanks for the clear explanation. Currently it separately and randomly
> draws the flags for each reflection, but the reflections related by twin
> or symmetry operations (NCS is ignored) get the same flag, unless the
> 'NOSYM' keyword is used. This doesn't guarantee that each flag occurs
> the same number of times.
>
> this could be done if there's interest.
>
> best wishes
> Ville
>
> On Tue, Jan 31, 2017 at 03:06:46PM +0100, Tim Gruene wrote:
> > Hi Ville,
> >
> > let's assume you have 5,000 reflections and want 50 reflections to be in
> > the same bin (i.e. flagged with the same Rfree flag).
> >
> > You enumerate your reflections and create a parallel list with 50 zeros,
> > 50
> > ones, 50 twos, ... 50 onehundreds.
> >
> > Then you run through the second list, and swap every number with an random
> > position, and place this back next to your list of reflections. When you
> > bin all zeros, all ones, etc, you end up with a random distribution
> > across all relfections and each bin has (about) the same size.
> >
> > In most cases, the bin size won't divide the total number of reflections.
> > In that case you could either leave the last bin smaller, or you could
> > distribute the remaining reflections randomly across the remaining bins.
> >
> > When you create the initial 'parallel list', you can take various special
> > cases into account, like flagging reflections related by NCS, or twin law,
> > etc.
> >
> > I've attached the code how I did it in crossflaghkl, which does not take
> > any special cases into account and which assumes merged data.
> >
> > Best wishes,
> > Tim
> >
> > On Tuesday 31 January 2017 11:45:16 AM Ville Uski wrote:
> > > On Tue, Jan 31, 2017 at 03:29:15AM +0100, Tim Gruene wrote:
> > > > I had long wondered how to flag the fields in game minesweeper with a
> > > > deterministic algorithm. When I read about 'random sort and bin' I
> > > > though
> > > > this was quite a beautiful way. I wonder if there is any reason behind
> > > > not doing it this way in freerflag.
> > >
> > > it could do that if requested.. What exactly means 'random sort
> > > and bin'?
> > >
> > > Ville
> >
> > --
> > --
> > Paul Scherrer Institut
> > Dr. Tim Gruene
> > - persoenlich -
> > Principal Investigator
> > Biology and Chemistry
> > OFLC/102
> > CH-5232 Villigen PSI
> >
> > Phone: +41 (0)56 310 5297
> >
> > GPG Key ID = A46BEE1A
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI
Phone: +41 (0)56 310 5297
GPG Key ID = A46BEE1A
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