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.