...
|
...
|
@@ -203,6 +203,7 @@ Rcpp::DataFrame RcppPwiz::getScanHeaderInfo (Rcpp::IntegerVector whichScan)
|
203
|
203
|
Rcpp::IntegerVector mergedResultStartScanNum(N_scans); /* smallest scan number of the scanOrigin for merged scan */
|
204
|
204
|
Rcpp::IntegerVector mergedResultEndScanNum(N_scans); /* largest scan number of the scanOrigin for merged scan */
|
205
|
205
|
Rcpp::NumericVector ionInjectionTime(N_scans); /* The time spent filling an ion trapping device*/
|
|
206
|
+ Rcpp::StringVector filterString(N_scans);
|
206
|
207
|
Rcpp::StringVector spectrumId(N_scans);
|
207
|
208
|
|
208
|
209
|
for (int i = 0; i < N_scans; i++)
|
...
|
...
|
@@ -220,6 +221,7 @@ Rcpp::DataFrame RcppPwiz::getScanHeaderInfo (Rcpp::IntegerVector whichScan)
|
220
|
221
|
polarity[i] = (param.cvid==MS_negative_scan ? 0 : (param.cvid==MS_positive_scan ? +1 : -1 ) );
|
221
|
222
|
// ionInjectionTime[i] = sp->cvParam(MS_ion_injection_time).valueAs<double>();
|
222
|
223
|
ionInjectionTime[i] = scan.cvParam(MS_ion_injection_time).timeInSeconds();
|
|
224
|
+ filterString[i] = scan.cvParam(MS_filter_string).value;
|
223
|
225
|
|
224
|
226
|
peaksCount[i] = scanHeader.peaksCount;
|
225
|
227
|
totIonCurrent[i] = scanHeader.totIonCurrent;
|
...
|
...
|
@@ -244,7 +246,7 @@ Rcpp::DataFrame RcppPwiz::getScanHeaderInfo (Rcpp::IntegerVector whichScan)
|
244
|
246
|
delete adapter;
|
245
|
247
|
adapter = NULL;
|
246
|
248
|
|
247
|
|
- Rcpp::List header(23);
|
|
249
|
+ Rcpp::List header(24);
|
248
|
250
|
std::vector<std::string> names;
|
249
|
251
|
int i = 0;
|
250
|
252
|
names.push_back("seqNum");
|
...
|
...
|
@@ -291,6 +293,8 @@ Rcpp::DataFrame RcppPwiz::getScanHeaderInfo (Rcpp::IntegerVector whichScan)
|
291
|
293
|
header[i++] = Rcpp::wrap(mergedResultEndScanNum);
|
292
|
294
|
names.push_back("injectionTime");
|
293
|
295
|
header[i++] = Rcpp::wrap(ionInjectionTime);
|
|
296
|
+ names.push_back("filterString");
|
|
297
|
+ header[i++] = Rcpp::wrap(filterString);
|
294
|
298
|
names.push_back("spectrumId");
|
295
|
299
|
header[i++] = Rcpp::wrap(spectrumId);
|
296
|
300
|
|
...
|
...
|
@@ -604,6 +608,7 @@ void RcppPwiz::addSpectrumList(MSData& msd,
|
604
|
608
|
Rcpp::IntegerVector mergedScan = spctr_header["mergedScan"];
|
605
|
609
|
// Skipping mergedResultScanNum, mergedResultStartScanNum and mergedResultEndScanNum
|
606
|
610
|
Rcpp::NumericVector ionInjectionTime = spctr_header["injectionTime"];
|
|
611
|
+ Rcpp::StringVector filterString = spctr_header["filterString"];
|
607
|
612
|
Rcpp::StringVector spectrumId = spctr_header["spectrumId"];
|
608
|
613
|
|
609
|
614
|
// From MSnbase::Spectrum Column in the header
|