What do you mean by “unique”? In the absence of anomalous signal, I+ and I- should be the same, so are not independent, and it doesn’t make sense to count them separately. Even if there is some anomalous signal, it is generally small on average compared to the whole intensity, so I+ and I- are highly correlated - should they be counted separately? What is the count for anyway?
I think it is confusing to count them differently depending on whether there is anomalous signal, however small. So “Number of unique refections” does depend on how you define it, and I would define it as the count of I+ or I- Phil > On 2 Aug 2017, at 21:02, Eugene Osipov <e.m.osi...@gmail.com> wrote: > > Dear Phil, > it is much more confusing. Can you please explain me why do you think they > are non unique in case of anomalous signal? > > > 2 авг. 2017 г. 19:01 пользователь "Phil Evans" <p...@mrc-lmb.cam.ac.uk> > написал: > > Anomalous ON or OFF affects some analyses, and outlier rejection: it doesn’t > change which reflections are used. It always outputs I+ and I-, even with > ANOMALOUS OFF > > Phenix (and maybe XDS) count I+ & I- as two separate unique reflections: > Aimless counts them as one, which I think is more reasonable. I+ and I- are > strongly correlated > > Phil > > > On 2 Aug 2017, at 16:33, Eugene Osipov <e.m.osi...@gmail.com> wrote: > > > > Dear community, > > > > I am confused by a reported number of unique reflections in AIMLESS version > > 0.5.32 : 29/03/17 ( CCP4 7.0.043). > > I am processing dataset with strong anomalous signal but it seems that > > "anomalous" keyword does not affect number of unique reflections. > > I run: > > $pointless XDS_ASCII.HKL HKLOUT pointless.mtz > > ..... > > $aimless hklin pointless.mtz hklout aimless.mtz > > > > After a program run with either "ANOMALOUS ON" or "ANOMALOUS OFF" I see > > 6629 reflections. Meanwile XDS and Phenix report 12 200 unique reflections. > > Is it bug or I miss something? > > > > > > -- > > Eugene Osipov > > Junior Research Scientist > > Laboratory of Enzyme Engineering > > A.N. Bach Institute of Biochemistry > > Russian Academy of Sciences > > Leninsky pr. 33, 119071 Moscow, Russia > > e-mail: e.m.osi...@gmail.com >
