extract XICs for given coordinates XICs are extracted given their coordinates : retention time target, mobility range, mz range
48 if(timsXicList.size() == 0)
50 std::sort(timsXicList.begin(),
53 return a.rtTarget < b.rtTarget;
56 for(
auto &&timsXic : timsXicList)
58 timsXic.xicSptr = std::make_shared<Xic>();
61 std::vector<std::size_t> tims_frameid_list =
63 timsXicList.back().rtTarget + rtRange);
65 qDebug() <<
" tims_frameid_list.size()=" << tims_frameid_list.size();
66 qDebug() <<
" rt begin=" << timsXicList[0].rtTarget;
67 qDebug() <<
" rt end=" << timsXicList.back().rtTarget;
68 for(std::size_t frame_id : tims_frameid_list)
70 std::vector<TimsXicStructure>::iterator itXicListbegin =
72 std::vector<TimsXicStructure>::iterator itXicListend = timsXicList.end();
74 double rtframe = frame_sptr.get()->getTime();
76 double rtbeginframe = rtframe - rtRange;
77 double rtendframe = rtframe + rtRange;
81 while((itXicListbegin != itXicListend) &&
82 (itXicListbegin->rtTarget < rtbeginframe))
86 itXicListend = itXicListbegin;
87 while((itXicListend != timsXicList.end()) &&
88 (itXicListend->rtTarget < rtendframe))
103 qDebug() <<
" from=" << itXicListbegin->rtTarget
104 <<
" to=" << itXicListend->rtTarget;
105 frame_sptr.get()->extractTimsXicListInRtRange(
108 qDebug() <<
"" << frame_sptr.get()->getId();
TimsFrameCstSPtr getTimsFrameCstSPtr(std::size_t timsId) const
get a Tims frame with his database ID
std::vector< std::size_t > getTimsMS1FrameIdRange(double rt_begin, double rt_end) const
std::shared_ptr< const TimsFrame > TimsFrameCstSPtr
structure needed to extract XIC from Tims data