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
signature.asc
Description: This is a digitally signed message part.
