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RMSD
,Created page with "== Reference == Art Palmer's 1991 JACS paper Do this for PEAK HIGHTS determination. The empty region RMSD is smaller than the random coil region, due to power conservation i..."
== Reference ==
Art Palmer's 1991 JACS paper
Do this for PEAK HIGHTS determination.
The empty region RMSD is smaller than the random coil region, due to power conservation in the Fourier transform. <br>
You can see this by dropping all the way to the baseplane and carefully looking. <br>
You should measure with boxes near the peaks, and make sure no peaks are in the box. <br>
This estimate is much better than the full spectrum RMSD measures from the other programs.
== 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.
== Notes ==
The error is equal to the baseplane RMSD times the number of 2D spectra points in the box.<br>
== Peak shifts ==
Be aware of peak shifts, due to temperature
Art Palmer's 1991 JACS paper
Do this for PEAK HIGHTS determination.
The empty region RMSD is smaller than the random coil region, due to power conservation in the Fourier transform. <br>
You can see this by dropping all the way to the baseplane and carefully looking. <br>
You should measure with boxes near the peaks, and make sure no peaks are in the box. <br>
This estimate is much better than the full spectrum RMSD measures from the other programs.
== 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.
== Notes ==
The error is equal to the baseplane RMSD times the number of 2D spectra points in the box.<br>
== Peak shifts ==
Be aware of peak shifts, due to temperature
