擅长:python、mysql、java
<p>我可能会尝试这样解析(不使用groupby(</p>
<pre><code>import re
file = """\
BEGIN IONS
TITLE=cmpd01_scan=23
RTINSECONDS=14.605
PEPMASS=694.299987792969 505975.375
CHARGE=2+
615.839727 1760.3752441406
628.788226 2857.6264648438
922.4323436 2458.0959472656
940.4432533 9105.5
END IONS
BEGIN IONS
TITLE=cmpd01_scan=24
RTINSECONDS=25.737
PEPMASS=694.299987792969 505975.375
CHARGE=2+
575.7636234 1891.1656494141
590.3553938 2133.4477539063
615.8339562 2433.4252929688
615.9032114 1784.0628662109
END IONS""".splitlines()
pat = re.compile(r'(TITLE|PEPMASS|CHARGE)=(.+)')
data = []
for line in file:
m = pat.match(line)
if m is not None:
if m.group(1) == 'TITLE':
data.append([])
data[-1].append(m.group(2))
print(data)
</code></pre>
<p>印刷品:</p>
<pre><code>[['cmpd01_scan=23', '694.299987792969 505975.375', '2+'], ['cmpd01_scan=24', '694.299987792969 505975.375', '2+']]
</code></pre>