Add user peaklist parsing from Sparky

[eisoab]

the default extension for exported Sparky peak lists is .list , not .peaks
(at least I've never seen this)

from parsing.py:

      elif file_ext == 'peaks' \
                and (line.lstrip().startswith("Assignment") and "w1" in line) \
                or line.startswith("<sparky save file>"):
            fin.close()
            return "SPARKY"

and I don't think it can handle the simplest(default) form of
the .list file at the moment with just 3 columns:

  Assignment         w1         w2       

E

[joaomcteixeira]

Sparky allows many different peak list formats.
You are right, the current version won't parse that simplest case.
Are you willing to use it? We can implement a parsing for that routine.
could you provide me an example with 5 lines at least? Are w1 and w2 in ppm?

best

[eisoab]

it would be same as the example you have with just the 3 first columns ``` Assignment w1 w2 V27N-H 120.059 9.388 R28N-H 127.973 8.888 K30N-H 127.256 8.404 L31N-H 127.686 8.625 L33N-H 119.358 6.545 L34N-H 128.500 8.398 ``` There may be more columns like Data Height, Volume etc depending on the settings. But I guess you could parse only the columns you need. In principle I'd prefer to use the .save files directly because there's no need to save files explicitly. best-E

…

On Mon, Oct 8, 2018 at 12:17 PM João M.C. Teixeira ***@***.***> wrote: Sparky allows many different peak list formats. You are right, the current version won't parse that simplest case. Are you willing to use it? We can implement a parsing for that routine. could you provide me an example with 5 lines at least? Are w1 and w2 in ppm? best — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <#292 (comment)>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AZStTj__WR_5hkROdWZA7hNjI_-hxj-pks5uiyZHgaJpZM4XMmTd> .