SCData

SCData is a class for store and manipulate data from the SCMeTA.

Data Structure

It contains the following attributes for store the data:

• raw: a pandas DataFrame with the raw data from the SCMeTA.
• process: a pandas DataFrame with the processed data from the SCMeTA.
• mat: a pandas DataFrame matrix with the processed data from the SCMeTA.
• cell_mat: a pandas DataFrame matrix with the processed data from the SCMeTA, but with the cells as rows and the metabolites as columns.
• cell_pos: a pandas DataFrame with the cell scan positions in time line.

Methods

It contains the following methods for manipulate the data:

load(path)

Parameters:

• path: str the path to the data file.

data = SCData()
data.load(path)

cut(start, end)

Parameters:

• start: int the start scan to cut the data.
• end: int the end scan to cut the data.

data.cut(0, 100)

offset(offset)

Parameters:

• offset: float the offset to be added to the data.

data.offset(0.1)

xic(mz)

Parameters:

• mz: float the mz to extract the XIC.

data.xic(760.58)