mailRe: Getting the RMSD using nmrpipe showApod


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Posted by Edward d'Auvergne on December 09, 2013 - 13:57:
Hi,

It depends on the algorithm used, as different software performs this
quite differently (though most as a black-box), as well as the type
and quality of the spectra.  The 'rm' method is the most reliable.
And it has the advantage that you can measure around the random coil
region were most peaks are and where, more often than not, the noise
level is higher.  This is often due to not perfectly pure samples and
hence incredibly weak, yet significant, signals close to the noise
level.  So this is actually quite a huge advantage.  But relax will
allow whatever a user throws at it, no matter how bad it is ;)

Regards,

Edward




On 9 December 2013 13:42, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:
Hi Edward.

A colleague of mine showed me to the RMSD, using showApod from nmrpipe.

showApod test.ft2 | grep "REMARK Automated Noise Std Dev in Processed
Data:" | awk '{print $9} '

When I compare with SPARKY mode 'rm' and 'st' the values agree quite much.

Do you have any experience with this?

Best
Troels

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