On Fri, Oct 28, 2011 at 9:27 AM, Martin Hediger <ma.hed@bluewin.ch> 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
>
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