On Fri, Oct 28, 2011 at 9:27 AM, Martin Hediger <[email protected]> wrote: > Dear List > I'm new in the OO-user list and looking forward to good discussions. > > My first question would be how to calculate the RMSD of a data set. > Here is a data set: > > exp comp1 comp2 > 5.60 6.54 6.35 > 4.80 -0.35 4.45 > 6.79 6.52 6.22 > RMSD1 RMSD2 > > So I require the value for RMSD1, which should be possible to compute by > RMSD(exp, comp1) = sqrt[ sum_i ( x_{i,exp} - x_{i,comp1} )^2 / 3 ] > > How do I implement this pairwise difference? >
Could you add columns to calculate the difference of exp-comp1 and exp-comp2, and then do STDEVP() on each of the difference columns? -Rob > Kind regards and thank you for your answer > Martin > > --------------------------------------------------------------------- > To unsubscribe, e-mail: [email protected] > For additional commands, e-mail: [email protected] > > --------------------------------------------------------------------- To unsubscribe, e-mail: [email protected] For additional commands, e-mail: [email protected]
