Crate imzml

Source
Expand description

This library provides a means of accessing mass spectrometry and mass spectrometry imaging data stored in either the .mzML or .imzML data formats.

let parser = ImzMLReader::from_path(“/path/to/data.imzML”).unwrap();

for error in parser.errors() { println!(“{:?}”, error); }

let imzml: ImzML<_> = parser.into();

imzml.ion_image(772.573, 100.0);

Re-exports§

pub use self::imzml::ImzML;
pub use self::imzml::ImzMLReader;
pub use mzml::mzml::MzML;
pub use mzml::MzMLReader;
pub use self::mzml::mzml::*;

Modules§

error
Error handling
imzml
ImzML file parsing (relies heavily on mzml)
mzml
MzML file parsing
obo
Parsing ontologies stored in the OBO format
validation
Validating .mzML and .imzML files

Structs§

Activation
Represents an tag.
BinaryDataArray
BinaryDataArray represents the tag and captures information required to read and parse the stored binary data.
BinaryDataArrayList
tag representation. Contains a list of BinaryDataArray
Chromatogram
Represents a tag.
ChromatogramIter
Iterator over a ChromatogramList returning all chromatograms in the list
ChromatogramList
Represents a list of Chromatograms
CompressionReader
Provides a single interface to compressed data, decompressing the data on read() if necessary
Coordinate
Coordinate describes the pixel location of a spectrum/scan
DataAccess
Enables access to data stored in data_location. The data could be compressed and/or encoded and stored with various different types. This information is captured in the data_description
IsolationWindow
Represents a tag.
Precursor
Represents a tag.
PrecursorList
Represents a list of Precursors
Product
Represents a tag.
Scan
Represents a tag.
ScanIter
Iterator over a ScanList returning each Scan in turn.
ScanList
Represents a list of Scans
ScanWindow
Represents a tag.
ScanWindowList
Represents a list of ScanWindows
SelectedIon
Represents a tag.
SelectedIonList
Represents a list of SelectedIons
Spectrum
Spectrum captures both binary data and metadata associated with a mass spectrum.
SpectrumAccess
Provide ability to access a spectrum (contains DataAccess for both m/z and intensity arrays)
SpectrumAccessIterator
SpectrumAccessIterator provides an iterator over a spectrum
SpectrumIter
Iterator over a SpectrumList returning all spectra in the list
SpectrumList
Represents a list of Spectrum
Target
Represents a tag.
WritableSpectrum
WritableSpectrum contains information required to be able to write out a spectrum to imzML.

Enums§

BinaryDataArrayType
The type of data being stored (e.g. m/z values, intensities)
BinaryDataType
The type used to store binary data (e.g. m/zs or intensities)
Compression
Possible means of compressing binary data stored in (i)mzML
Polarity
Polarity used to acquire the spectrum
Representation
Spectrum mode
ScanLocation
ScanLocation describes how ImzMLWriter should deal with a particular scan. Either ignore it, or store it with the specified coordinate.
SpectrumRef
Represents a reference to a Spectrum
SpectrumType
Type of spectrum acquired

Constants§

ACCESSION_32_BIT_FLOAT
Accession in OBO for 32-bit float
ACCESSION_64_BIT_FLOAT
Accession in OBO for 64-bit float
ACCESSION_BINARY_DATA_TYPE
Accession in OBO for binary data type
ACCESSION_CENTROID_SPECTRUM
Accession for a centroided spectrum
ACCESSION_COMPRESSION
Accession in OBO for compression (parent term)
ACCESSION_EXTERNAL_ARRAY_LENGTH
Accession in OBO for external array length
ACCESSION_EXTERNAL_DATA
Accession in OBO for external data
ACCESSION_EXTERNAL_ENCODED_LENGTH
Accession in OBO for external encoded length
ACCESSION_EXTERNAL_OFFSET
Accession in OBO for external offset
ACCESSION_INTENSITY_ARRAY
Accession in OBO for intensity array
ACCESSION_MS1_SPECTRUM
Accession for MS1 spectrum
ACCESSION_MZ_ARRAY
Accession in OBO for m/z array
ACCESSION_NEGATIVE_SCAN
Accession for negative polarity scan
ACCESSION_NO_COMBINATION
Accession for no combination of spectra
ACCESSION_NO_COMPRESSION
Accession in OBO for no compression
ACCESSION_POSITION_X
Accession for pixel position in x direction
ACCESSION_POSITION_Y
Accession for pixel position in y direction
ACCESSION_POSITION_Z
Accession for pixel position in z direction
ACCESSION_POSITIVE_SCAN
Accession for positive polarity scan
ACCESSION_PROFILE_SPECTRUM
Accession for a profile spectrum
ACCESSION_SCAN_POLARITY
Accession for parent term describing polarity
ACCESSION_SPECTRUM_REPRESENTATION
Accession for parent term describing spectrum representation
ACCESSION_ZLIB_COMPRESSION
Accession in OBO for Zlib compression