Parse the compound names without secondary transitions.

[OmarAshkar]

This one is related to #16.

[JMarvi3]

Could I suggest the following instead:

def parse_compound_names(path):
    path = os.path.join(path, '_FUNC001.CMP')
    dts = np.dtype([('compounds', 'S256'), ('transition', 'S256'), ('source', 'S512')])
    dtu = np.dtype([('compounds', 'U256'), ('transition', 'U256'), ('source', 'U512')])

    df = pd.DataFrame(np.fromfile(path, dtype=dts, offset=12).astype(dtu))
    df['measurements'] = df['compounds'] + ' ' + (df.index.values + 1).astype(str)

    return df

[sardnar]

Could I suggest the following instead:

def parse_compound_names(path):
    path = os.path.join(path, '_FUNC001.CMP')
    dts = np.dtype([('compounds', 'S256'), ('transition', 'S256'), ('source', 'S512')])
    dtu = np.dtype([('compounds', 'U256'), ('transition', 'U256'), ('source', 'U512')])

    df = pd.DataFrame(np.fromfile(path, dtype=dts, offset=12).astype(dtu))
    df['measurements'] = df['compounds'] + ' ' + (df.index.values + 1).astype(str)

    return df

wow! that is very neat! I'd appreciate if you contribute it in this PR. Another thing to be added is the daughter transition. However, I am not sure if it's there in this file though.

[OmarAshkar]

Indeed! my code is so bad in comparison :)