Hi Chris,
I think in the short term this is an acceptable solution. In the long-term, we
need to redesign the data model of the peak list table, so individual modules
can add their own additional columns (in this particular case, there would be
an additional column "Parent ion").
Cheers,
Tomas
On Mar 29, 2012, at 12:57 PM, Pudney Chris (ext) GBJH wrote:
G'day,
The Adduct search module adds an identity to adduct peaks of the form
<adduct name> <adduct mass> adduct of <parent ion mass>
Then if you sort a peak-list by identity adducts get sorted by adduct
name/mass (and then <parent ion mass>).
It would be nice to be able to sort peaks by parent ion.
I can't come up with a neat way of doing this. The best I can come up
with is to add a parameter to the Adduct search module that allows you
to specify the format of the identity string, e.g. choose between
<adduct name> <adduct mass> adduct of <parent ion mass> (default)
Adduct <parent ion mass> <plus/minus> <adduct mass> <adduct name>
Feels awkward (relies on the sort side-effect) but doesn't mess with the
peak-list table implementation.
Ideas welcomed?
Thanks,
Chris.
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Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
TEL: +81-98-966-8684
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