UniDec
Universal Deconvolution of Mass and Ion Mobility Spectra
Public Member Functions | Public Attributes | List of all members
UniDec.unidec_modules.MassFitter.MassFitter Class Reference

Public Member Functions

def __init__ (self, massdat, guessarray, psfun, args)
 
def perform_fit (self, args)
 

Public Attributes

 massdat
 
 finarray
 
 psfun
 
 fit
 
 fitdat
 
 initguess
 

Detailed Description

Class for fitting zero-charge mass spectrum to overlapping peaks.

Constructor & Destructor Documentation

def UniDec.unidec_modules.MassFitter.MassFitter.__init__ (   self,
  massdat,
  guessarray,
  psfun,
  args 
)
Initialize values and set initial guesses.

Guess array can be fed in several things. If there are five columns, it expects a P x 5 grid.

[mass, mass fwhm, charge (not used), charge std (not used), intensity]

If there are only two columns, it expects a P x 2 grid

[mass, intensity]

:param massdat: Mass data to be fit
:param guessarray: Array of initial peak parameters
:param psfun: Peak shape function integer code
:param args: Arguments passed to fits and guesses.
:return: fitdat

Member Function Documentation

def UniDec.unidec_modules.MassFitter.MassFitter.perform_fit (   self,
  args 
)
Run least squares fitting
:param args: Arguments passed to fitting
:return: fitdat, fit (fit to data and fit parameters in a P x 3 array of (mid, fwhm, area))

Here is the call graph for this function:

Member Data Documentation

UniDec.unidec_modules.MassFitter.MassFitter.finarray
UniDec.unidec_modules.MassFitter.MassFitter.fit
UniDec.unidec_modules.MassFitter.MassFitter.fitdat
UniDec.unidec_modules.MassFitter.MassFitter.initguess
UniDec.unidec_modules.MassFitter.MassFitter.massdat
UniDec.unidec_modules.MassFitter.MassFitter.psfun

The documentation for this class was generated from the following file: