40 "PEPMASS=810.790000\n" 41 "TITLE=small.pwiz.0003.0003.2\n" 42 "231.388840 26.545113\n" 43 "233.339828 20.447954\n" 44 "239.396149 17.999159\n" 47 "PEPMASS=837.340000\n" 48 "TITLE=small.pwiz.0004.0004.2\n" 49 "RTINSECONDS=123.456\n" 51 "236.047043 11.674493\n" 52 "237.237091 24.431984\n" 53 "238.824036 10.019409\n" 54 "239.531403 6.842983\n" 55 "243.128693 89.586212\n" 60 if (
os_) *
os_ <<
"test()\n";
64 shared_ptr<istream> is(
new istringstream(
testMGF));
90 IndexList list = sl->findSpotID(
"small.pwiz.0004.0004.2");
96 list = sl->findSpotID(
"fake title string");
102 unit_assert(sl->spectrumIdentity(0).id ==
"index=0");
103 unit_assert(sl->spectrumIdentity(0).sourceFilePosition != -1);
118 Precursor& precursor0 = s->precursors[0];
125 s = sl->spectrum(0,
true);
128 unit_assert(!s->binaryDataArrayPtrs[0]->data.empty() && !s->binaryDataArrayPtrs[1]->data.empty());
130 vector<MZIntensityPair> pairs;
131 s->getMZIntensityPairs(pairs);
136 copy(pairs.begin(), pairs.end(), ostream_iterator<MZIntensityPair>(*
os_,
"\n"));
144 unit_assert(sl->spectrumIdentity(1).id ==
"index=1");
146 s = sl->spectrum(1,
true);
157 Precursor& precursor1 = s->precursors[0];
165 s->getMZIntensityPairs(pairs);
167 unit_assert(s->defaultArrayLength == pairs.size());
172 copy(pairs.begin(), pairs.end(), ostream_iterator<MZIntensityPair>(*
os_,
"\n"));
178 int main(
int argc,
char* argv[])
184 if (argc>1 && !strcmp(argv[1],
"-v"))
os_ = &cout;
MS_charge_state
charge state: The charge state of the ion, single or multiple and positive or negatively charged...
MS_base_peak_intensity
base peak intensity: The intensity of the greatest peak in the mass spectrum.
std::vector< InstrumentConfigurationPtr > instrumentConfigurationPtrs
list and descriptions of instrument configurations.
The method of precursor ion selection and activation.
boost::shared_ptr< Spectrum > SpectrumPtr
MS_total_ion_current
total ion current: The sum of all the separate ion currents carried by the ions of different m/z cont...
MS_scan_start_time
scan start time: The time that an analyzer started a scan, relative to the start of the MS run...
#define unit_assert_equal(x, y, epsilon)
MS_LCQ_Deca
LCQ Deca: ThermoFinnigan LCQ Deca.
MS_ms_level
ms level: Stages of ms achieved in a multi stage mass spectrometry experiment.
MS_selected_ion_m_z
selected ion m/z: Mass-to-charge ratio of an selected ion.
Uncontrolled user parameters (essentially allowing free text). Before using these, one should verify whether there is an appropriate CV term available, and if so, use the CV term instead.
MS_base_peak_m_z
base peak m/z: M/z value of the signal of highest intensity in the mass spectrum. ...
PWIZ_API_DECL void write(minimxml::XMLWriter &writer, const CV &cv)
boost::shared_ptr< SpectrumList > SpectrumListPtr
int main(int argc, char *argv[])
Description of a particular hardware configuration of a mass spectrometer. Each configuration MUST ha...
boost::shared_ptr< InstrumentConfiguration > InstrumentConfigurationPtr
MS_spectrum_title
spectrum title: A free-form text title describing a spectrum.
#define TEST_PROLOG(argc, argv)
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...