Thanks Rob, great suggestion.
Am 28.10.11 15:35, schrieb Rob Weir:
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
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