diff --git a/nmrpy/data_objects.py b/nmrpy/data_objects.py index e9e1cd8..013d3c5 100644 --- a/nmrpy/data_objects.py +++ b/nmrpy/data_objects.py @@ -1067,8 +1067,8 @@ def _f_fitp(cls, data, peaks, frac_gauss=None, method='leastsq'): params[par_name].max = 1.0 if frac_gauss is not None: params[par_name].vary = False - #if 'sigma' in par_name or 'hwhm' in par_name: - # params[par_name].max = 0.01*current_parset['amplitude'] + if 'sigma' in par_name or 'hwhm' in par_name: + params[par_name].max = 0.1*current_parset['amplitude'] / data.max() * len(data) if 'amplitude' in par_name: params[par_name].max = 2.0*data.max() diff --git a/nmrpy/plotting.py b/nmrpy/plotting.py index de6c047..d283496 100644 --- a/nmrpy/plotting.py +++ b/nmrpy/plotting.py @@ -172,7 +172,8 @@ def _plot_deconv_array(self, fids, figsize=[9, 6], lw=0.3, azim=-90, - elev=20, + elev=20, + roll=0, filename=None): if lower_index is None: @@ -213,7 +214,7 @@ def _plot_deconv_array(self, fids, xlabel = 'PPM (%.2f MHz)'%(params['reffrq']) ylabel = 'min.' - if 'acqtime_array' in fids[0]._params.keys(): + if type(fids[0]._params['acqtime']) in (float, numpy.float64): # New NMRpy _params structure minutes = [fids[i]._params['acqtime'] for i in range(lower_index, upper_index)] else: @@ -227,7 +228,8 @@ def _plot_deconv_array(self, fids, ylabel=ylabel, lw=lw, azim=azim, - elev=elev, + elev=elev, + roll=roll, ) if filename is not None: self.fig.savefig(filename, format='pdf') @@ -243,7 +245,8 @@ def _plot_array(self, data, params, figsize=(9, 6), lw=0.3, azim=-90, - elev=20, + elev=20, + roll=0, filled=False, show_zticks=False, labels=None, @@ -305,7 +308,8 @@ def _plot_array(self, data, params, ylabel=ylabel, lw=lw, azim=azim, - elev=elev, + elev=elev, + roll=roll, ) if filename is not None: self.fig.savefig(filename, format='pdf') @@ -329,7 +333,8 @@ def _generic_array_plot(self, x, y, zlist, lower_lim=None, lw=0.3, azim=-90, - elev=20, + elev=20, + roll=0, figsize=[5,5], show_zticks=False, labels=None, @@ -357,7 +362,7 @@ def _generic_array_plot(self, x, y, zlist, fig = plt.figure(figsize=figsize) - ax = fig.add_subplot(111, projection='3d', azim=azim, elev=elev) + ax = fig.add_subplot(111, projection='3d', azim=azim, elev=elev, roll=roll) for data_n in range(len(zlist)): data = zlist[data_n]