UniDec
Universal Deconvolution of Mass and Ion Mobility Spectra
Classes | Functions | Variables
UniDec.unidec_modules.MassFitter Namespace Reference

Classes

class  MassFitter
 

Functions

def make_mass_list (massdat, arrayin, psfun, startarray, args)
 
def error_function (array, massdat, psfun, startarray, args)
 
def least_squares_minimize (massdat, array, psfun, args)
 

Variables

string __author__ = 'Michael.Marty'
 

Function Documentation

def UniDec.unidec_modules.MassFitter.error_function (   array,
  massdat,
  psfun,
  startarray,
  args 
)
Error function for least_squares_minimize
:param array: Array of test parameters
:param massdat: Mass data to be fit
:param psfun: Peak shape function integer code
:param startarray: Starting array (not currently used but can be used to restrict some guesses)
:param args: Extra arguments for make_mass_list
:return: Squared errors array

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def UniDec.unidec_modules.MassFitter.least_squares_minimize (   massdat,
  array,
  psfun,
  args 
)
Perform least squares minimization of peaks defined in array to massdat.
:param massdat: Data to fit
:param array: Array of parameters for defining peaks that will be fit
:param psfun: Peak shape function integer code
:param args: Extra arguments for make_mass_list
:return: Best fit of values in array

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def UniDec.unidec_modules.MassFitter.make_mass_list (   massdat,
  arrayin,
  psfun,
  startarray,
  args 
)
For parameters in arrayin, make mass peaks to be fit to massdat.
Arrayin must be P x 3 array of (mid, fwhm, area).
:param massdat: Data to be fit
:param arrayin: Parameters defining peaks
:param psfun: Peak shape function integer code
:param startarray: Starting array (not currently used but can be used to restrict some guesses)
:param args: Extra arguments (such as nonorm to prevent normalization)
:return:

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Variable Documentation

string UniDec.unidec_modules.MassFitter.__author__ = 'Michael.Marty'