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OpenMS
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69 static std::vector<PeakMap> splitByFAIMSCV(
PeakMap&& exp);
A gradient of multiple colors and arbitrary distances between colors.
Definition: MultiGradient.h:67
Base class for TOPP applications.
Definition: TOPPBase.h:147
void resize(size_type i, size_type j, value_type value=value_type())
Definition: Matrix.h:243
CoordinateType minX() const
Accessor for min_ coordinate minimum.
Definition: DIntervalBase.h:294
Base::iterator Iterator
Definition: FeatureMap.h:144
static QString toQString(const String &this_s)
Definition: StringUtils.h:201
File adapter for MzML files.
Definition: MzMLFile.h:57
A more convenient string class.
Definition: String.h:58
Iterator begin()
Definition: MSExperiment.h:150
String & trim()
removes whitespaces (space, tab, line feed, carriage return) at the beginning and the end of the stri...
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
static bool contains(const std::vector< T > &container, const E &elem)
Checks whether the element elem is contained in the given container.
Definition: ListUtils.h:162
static void toUpper(StringList &sl)
Transforms all strings contained in the passed StringList to upper case.
static MultiGradient getDefaultGradientLinearIntensityMode()
Returns the default gradient for linear intensity mode.
DriftTimeUnit
Drift time unit for ion mobility.
Definition: IMTypes.h:45
std::pair< Size, Size > sizePair() const
Definition: Matrix.h:269
CoordinateType minY() const
Accessor for max_ coordinate minimum.
Definition: DIntervalBase.h:300
CoordinateType getMaxRT() const
returns the maximal retention time value
const_reference getValue(size_type const i, size_type const j) const
Definition: Matrix.h:165
This class converts PeakMaps and MSSpectra from/to different IM/FAIMS storage models.
Definition: IMDataConverter.h:54
Size size() const
Definition: MSExperiment.h:120
ConstIterator getPrecursorSpectrum(ConstIterator iterator) const
Returns the precursor spectrum of the scan pointed to by iterator.
Provides access to bilinearly interpolated values (and derivatives) from discrete data points....
Definition: BilinearInterpolation.h:72
A 2-dimensional hull representation in [counter]clockwise direction - depending on axis labelling.
Definition: ConvexHull2D.h:72
Predicate that determines if a spectrum's precursor is within a certain m/z range.
Definition: RangeUtils.h:383
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::vector< SpectrumType >::iterator Iterator
Mutable iterator.
Definition: MSExperiment.h:104
CoordinateType getMaxMZ() const
returns the maximal m/z value
void load(const String &filename, PeakMap &map)
Loads a map from a MzML file. Spectra and chromatograms are sorted by default (this can be disabled u...
void load(const String &filename, FeatureMap &feature_map)
loads the file with name filename into map and calls updateRanges().
ContainerType & getData()
Returns the internal random access container storing the data.
Definition: BilinearInterpolation.h:510
void setMapping_1(KeyType const &scale, KeyType const &inside_low, KeyType const &outside_low)
Specifies the mapping from "outside" to "inside" coordinates by the following data:
Definition: BilinearInterpolation.h:713
QString toQString() const
Conversion to Qt QString.
Math namespace.
Definition: BilinearInterpolation.h:42
void addValue(KeyType arg_pos_0, KeyType arg_pos_1, ValueType arg_value)
Performs bilinear resampling. The arg_value is split up and added to the data points around arg_pos....
Definition: BilinearInterpolation.h:316
String & toUpper()
Converts the string to uppercase.
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:71
CoordinateType maxY() const
Accessor for max_ coordinate maximum.
Definition: DIntervalBase.h:312
const double h
Definition: Constants.h:162
#define OPENMS_LOG_ERROR
Macro to be used if non-fatal error are reported (processing continues)
Definition: LogStream.h:455
A container for features.
Definition: FeatureMap.h:98
void setRTRange(const DRange< 1 > &range)
restricts the range of RT values for peaks to load
Iterator end()
Definition: MSExperiment.h:160
const std::vector< MSSpectrum > & getSpectra() const
returns the spectrum list
This class provides Input/Output functionality for feature maps.
Definition: FeatureXMLFile.h:62
DBoundingBox< 2 > getBoundingBox() const
returns the bounding box of the feature hull points
void updateRanges() override
CoordinateType maxX() const
Accessor for min_ coordinate maximum.
Definition: DIntervalBase.h:306
void setMZRange(const DRange< 1 > &range)
restricts the range of MZ values for peaks to load
std::vector< SpectrumType >::const_iterator ConstIterator
Non-mutable iterator.
Definition: MSExperiment.h:106
static MultiGradient getDefaultGradientLogarithmicIntensityMode()
Returns the default gradient for logarithmic intensity mode.
void setMSLevels(const std::vector< Int > &levels)
sets the desired MS levels for peaks to load
Element could not be found exception.
Definition: Exception.h:674
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
void fromString(const std::string &gradient)
Sets the gradient by string representation.
String suffix(SizeType length) const
returns the suffix of length length
CoordinateType getMinMZ() const
returns the minimal m/z value
Float data array class.
Definition: DataArrays.h:45
PeakFileOptions & getOptions()
Mutable access to the options for loading/storing.
void setLogType(LogType type) const
Sets the progress log that should be used. The default type is NONE!
CoordinateType getMinRT() const
returns the minimal retention time value
void setMapping_0(KeyType const &scale, KeyType const &inside_low, KeyType const &outside_low)
Specifies the mapping from "outside" to "inside" coordinates by the following data:
Definition: BilinearInterpolation.h:670
QColor interpolatedColorAt(double position) const
Returns the color as position.