pKaTool/full_titfit.py
def put_data_in_fitter_format(self):
        """Rearrange all the data in the fitter format"""
        #
        # Subtract the first point to get rid of the abs value
        #
        exp_data=[]
        for residue in self.alltitdata.keys():
            if len(self.alltitdata[residue])<2:
                continue
            first_chemshift=self.alltitdata[residue][0][1]
            for ph,chemshift in self.alltitdata[residue]:
                exp_data.append([residue,ph,chemshift-first_chemshift])
        return exp_data
Rearrange all the data in the fitter format
Rearrange all the data in the fitter format
Rearrange all the data in the fitter format
def put_data_in_fitter_format(self):
         Subtract the first point to get rid of the abs value
        exp_data=[]
        for residue in self.alltitdata.keys():
            if len(self.alltitdata[residue])<2:
                continue
            first_chemshift=self.alltitdata[residue][0][1]
            for ph,chemshift in self.alltitdata[residue]:
                exp_data.append([residue,ph,chemshift-first_chemshift])
        return exp_data
def put_data_in_fitter_format ( self ) : exp_data = [ ] for residue in self . alltitdata . keys ( ) : if len ( self . alltitdata [ residue ] ) < 2 : continue first_chemshift = self . alltitdata [ residue ] [ 0 ] [ 1 ] for ph , chemshift in self . alltitdata [ residue ] : exp_data . append ( [ residue , ph , chemshift - first_chemshift ] ) return exp_data
Rearrange all the data in the fitter format
Rearrange all the data in the fitter format
"""Rearrange all the data in the fitter format""" # # Subtract the first point to get rid of the abs value #
self