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RMSD
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== Software to use ==
SPARKY. In the extension menu.
In F1 mode, draw boxes in the empty regions for all spectra. You have a different error estimate for each spectrum, which relax handles.
It is a good idea to use the Sparky '''rm''' function to get the RMSD of the spectrum as a maximal noise estimate in several areas free of peaks. <br>
If there are peaks which may be in noisier regions (eg near the water line) it can be a good idea to give those peaks separate errors by measuring the RMSD near those peaks seperately.
== Notes ==
The error is equal to the baseplane RMSD times the number of 2D spectra points in the box.
== Reference ==
Do this for PEAK HIGHTS determination.
This estimate is much better than the full spectrum RMSD measures from the other programs.
== Peak shifts ==