mzData

Presentation

This is the Base class which holds all the data collected from a given mzdata.xml file. This is the data class used when the mzDataManager creates a .mat file.
You can create your own instances of this class if your data is not collected from the mzData files.

Definition

class mzData(BaseModel):
    fileName : str = None
    filePath : str = None
    metadata : dict = None
    mz : list[list[float]] = [[]]
    intensities : list[list[float]] = [[]]
    time : list[float] = []

How to use

There are two ways of creating this class, the first one is the following :

# Class creation
data = mzData()

# The script below could be called anywhere you want, just be sure to fill all necessary data before calling the saveMatfile function from the mzdataManager class.
data.fileName = "sample.mzdata.xml"
data.filePath = "some/path/"
data.metadata = {
    'software' : 'someSoftware',
    'analyser' : 'John Doe',
    'detector' : 'someDetector'
}
data.mz = mzList
data.intensities = intensitiesList
data.time = timeList

If you have all informations at the same time, you could use the second way of defining the class :

data = mzData(
    fileName = "sample.mzdata.xml",
    filePath = "some/path/",
    metadata = {
    'software' : 'someSoftware',
    'analyser' : 'John Doe',
    'detector' : 'someDetector'
    },
    mz = mzList,
    intensities = intensitiesList,
    time = timeList
)

Functions

None

Notes

There is in fact a function called toDict, but it is intended to be used by the manager class. The only thing it does is convert the structure into the format needed by the .mat format.