mzml

Aug 27, 2020

Changes in this version

+ var ErrInvalidScanID = errors.New("MzML: invalid scan id")

+ var ErrUnknownUnit = errors.New("MzML: can't handle unit")

+ type CVParam struct

+ Accession string

+ Name string

+ UnitAccession string

+ UnitCvRef string

+ UnitName string

+ Value string

+ type DataProcessing struct

+ ID string

+ ProcessingMeth []ProcessingMethod

type MzML

+ func (f *MzML) AppendDataProcessing(proc DataProcessing) error

+ func (f *MzML) IonInjectionTime(scanIndex int) (float64, error)

+ func (f *MzML) TotalIonCurrent(scanIndex int) (float64, error)

+ type ProcessingMethod struct

+ Count int

+ CvPar []CVParam

+ SoftwareRef string

+ UserPar []userParam

Nov 21, 2019

Changes in this version

+ var ErrInvalidScanId = errors.New("MzML: invalid scan id")

+ var ErrInvalidScanIndex = errors.New("MzML: invalid scan index")

+ type MzML struct

+ func Read(reader io.Reader) (MzML, error)

+ func (f *MzML) AppendSoftwareInfo(id string, version string) error

+ func (f *MzML) Centroid(scanIndex int) (bool, error)

+ func (f *MzML) GetPrecursors(scanIndex int) ([]XMLprecursor, error)

+ func (f *MzML) MSInstruments() ([]string, error)

+ func (f *MzML) MSLevel(scanIndex int) (int, error)

+ func (f *MzML) NumSpecs() int

+ func (f *MzML) ReadScan(scanIndex int) ([]Peak, error)

+ func (f *MzML) RetentionTime(scanIndex int) (float64, error)

+ func (f *MzML) ScanID(scanIndex int) (string, error)

+ func (f *MzML) ScanIndex(scanID string) (int, error)

+ func (f *MzML) UpdateScan(scanIndex int, p []Peak, updateMz bool, updateIntens bool) error

+ func (f *MzML) Write(writer io.Writer) error

+ type Peak struct

+ Intens float64

+ Mz float64

+ type XMLprecursor struct

+ Activation activation

+ IsolationWindow isolationWindow

+ SelectedIonList selectedIonList

+ SpectrumRef string