hello
I have found some problems with aria not assigning peaks that it should be
able to and have tracked down the problem to the fact that eg:
I have in analysis the assignment:
V58 Cga 19.67 V58 Cgb 21.59 V58 Hga* 0.93 V58 Hgb* 0.98
but in the nmrview format output ppm.out I have:
58.CG1 21.59
58.CG2 19.67
58.HG11,12,13 0.93
58.HG21,22,23 0.98
so they have been swapped and aria cannot assign a peak at 0.93 XXX 19.67
because CG2 does not match HG1*
is there any way around this other than a manual check of valine and leucine
methyls?
thanks,
simon
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