That doesn't tell much, it's equivalent to having a 6% larger alignment tensor and the fit has to be identical. Try to either scramble a few assignments or add/subtract a few Hertz from just a handful of RDCs to see a difference.
On Oct 24, 2016 3:52 PM, "Emmanouilidis, Leonidas" < [email protected]> wrote: > by random I mean addition of 6Hz to all HN-N rdcs. > > > > > On Oct 24, 2016, at 10:43 PM, Gabriel Cornilescu wrote: > > When you say random, are you scrambling the assignments, changing the > RDC values randomly by 6%, or changing their associated errors? > > On Oct 24, 2016 3:30 PM, "Emmanouilidis, Leonidas" < > [email protected]> wrote: > >> This is relative simple. >> If one runs the tutorial-based gb1 RDC refinement protocol (refine.py) >> but with hn RDCs values completely random (+6Hz noise to each), the outcome >> is a seemingly successful refinement with no errors. >> I did the test using just the hn RDCs. >> >> >> >> >> >> On Oct 24, 2016, at 10:11 PM, Charles Schwieters wrote: >> >> > >> > Hello Leonidas-- >> > >> >> >> >> while I am trying to refine a crystal structure with RDCs using the >> >> refine.py script, I came across a weird result. >> >> >> >> I had near perfect correlation between observed and calculated RDCs >> >> values, which was fishy. After addition of 5Hz systematic noise to all >> >> RDCs, i still had perfect correlation and nice convergence with no >> >> violations(!). Initially i thought that there was something wrong with >> >> my experimental setup (since i only used RDCs+dihedrals restrains), >> >> but I had exactly the same result when I changed also the gb1 tutorial >> >> RDCs values. >> >> So to sum it up, I used the tutorial script (refine.py) and input >> >> files for RDC refinement, regardless of how much I alter the RDCs >> >> values (i tried up to +6Hz noise addition) I get always nice >> >> convergence, perfect correlation obs/calc with no violations. >> >> >> >> Is this how it should be or do I miss/mess somthing? >> >> >> > >> > Not sure what's going on- we'll need more details. >> > >> > best regards-- >> > Charles >> >> >> _______________________________________________ >> Xplor-nih mailing list >> [email protected] >> https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih >> > >
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