Hello,
It was the alignment which was going wrong, so Tim has changed the code so
that the alignment is done better now.
Wayne
On Tue, 2 Apr 2013, Vitaliy wrote:
> Hello,
>
> I used Shift Differences tool in my project a lot. But now it does not work for me for some peak lists. I am trying to compare HSQCs of several constructs with each of them defined as a separate MS. Initially of course, I get the empty Shift Difference table but after selecting 'Use sequence alignment' the following output in the shell appears and the table is empty anyway:
> 525.0 <ccp.molecule.MolSystem.Chain ['MS13', 'A']> <ccp.molecule.MolSystem.Chain ['MS1n', 'A']>
> 1198.0 <ccp.molecule.MolSystem.Chain ['MS13', 'A']> <ccp.molecule.MolSystem.Chain ['MS12n', 'A']>
> 1299.0 <ccp.molecule.MolSystem.Chain ['MS13', 'A']> <ccp.molecule.MolSystem.Chain ['MS12', 'A']>
> 637.0 <ccp.molecule.MolSystem.Chain ['MS13', 'A']> <ccp.molecule.MolSystem.Chain ['MS1', 'A']>
> 1198.0 <ccp.molecule.MolSystem.Chain ['MS12n', 'A']> <ccp.molecule.MolSystem.Chain ['MS13', 'A']>
> 542.0 <ccp.molecule.MolSystem.Chain ['MS12n', 'A']> <ccp.molecule.MolSystem.Chain ['MS1n', 'A']>
> 1188.0 <ccp.molecule.MolSystem.Chain ['MS12n', 'A']> <ccp.molecule.MolSystem.Chain ['MS12', 'A']>
> 648.0 <ccp.molecule.MolSystem.Chain ['MS12n', 'A']> <ccp.molecule.MolSystem.Chain ['MS1', 'A']>
> 525.0 <ccp.molecule.MolSystem.Chain ['MS1n', 'A']> <ccp.molecule.MolSystem.Chain ['MS13', 'A']>
> 542.0 <ccp.molecule.MolSystem.Chain ['MS1n', 'A']> <ccp.molecule.MolSystem.Chain ['MS12n', 'A']>
> 525.0 <ccp.molecule.MolSystem.Chain ['MS1n', 'A']> <ccp.molecule.MolSystem.Chain ['MS12', 'A']>
> 631.0 <ccp.molecule.MolSystem.Chain ['MS1n', 'A']> <ccp.molecule.MolSystem.Chain ['MS1', 'A']>
> 1299.0 <ccp.molecule.MolSystem.Chain ['MS12', 'A']> <ccp.molecule.MolSystem.Chain ['MS13', 'A']>
> 525.0 <ccp.molecule.MolSystem.Chain ['MS12', 'A']> <ccp.molecule.MolSystem.Chain ['MS1n', 'A']>
> 1188.0 <ccp.molecule.MolSystem.Chain ['MS12', 'A']> <ccp.molecule.MolSystem.Chain ['MS12n', 'A']>
> 637.0 <ccp.molecule.MolSystem.Chain ['MS12', 'A']> <ccp.molecule.MolSystem.Chain ['MS1', 'A']>
> 637.0 <ccp.molecule.MolSystem.Chain ['MS1', 'A']> <ccp.molecule.MolSystem.Chain ['MS13', 'A']>
> 631.0 <ccp.molecule.MolSystem.Chain ['MS1', 'A']> <ccp.molecule.MolSystem.Chain ['MS1n', 'A']>
> 648.0 <ccp.molecule.MolSystem.Chain ['MS1', 'A']> <ccp.molecule.MolSystem.Chain ['MS12n', 'A']>
> 637.0 <ccp.molecule.MolSystem.Chain ['MS1', 'A']> <ccp.molecule.MolSystem.Chain ['MS12', 'A']>
>
> Could you please help me figure out the problem.
>
> Thank you,
> Vitaliy
>
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