Merge pull request #126 from Anselmoo/develop

Update README

README.md

@@ -71,8 +71,10 @@ spectrafit data_file.txt input_file.json
 ```
 
 ```shell
-usage: spectrafit [-h] [-o OUTFILE] [-i INPUT] [-ov] [-e0 ENERGY_START] [-e1 ENERGY_STOP] [-s SMOOTH] [-sh SHIFT]
-                  [-c COLUMN COLUMN] [-sep {	,,,;,:,|, ,s+}] [-dec {.,,}] [-hd HEADER] [-np] [-v] [-vb] [-g {0,1,2}]
+usage: spectrafit [-h] [-o OUTFILE] [-i INPUT] [-ov] [-e0 ENERGY_START]
+                  [-e1 ENERGY_STOP] [-s SMOOTH] [-sh SHIFT]
+                  [-c COLUMN COLUMN] [-sep {	,,,;,:,|, ,s+}] [-dec {.,,}]
+                  [-hd HEADER] [-np] [-v] [-vb] [-g {0,1,2}]
                   infile
 
 Fast Fitting Program for ascii txt files.
@@ -83,11 +85,14 @@ positional arguments:
 optional arguments:
   -h, --help            show this help message and exit
   -o OUTFILE, --outfile OUTFILE
-                        Filename for the export, default to set to 'spectrafit_results'.
+                        Filename for the export, default to set to
+                        'spectrafit_results'.
   -i INPUT, --input INPUT
-                        Filename for the input parameter, default to set to 'fitting_input.toml'.Supported fileformats are:
+                        Filename for the input parameter, default to set to
+                        'fitting_input.toml'.Supported fileformats are:
                         '*.json', '*.yml', '*.yaml', and '*.toml'
-  -ov, --oversampling   Oversampling the spectra by using factor of 5; default to False.
+  -ov, --oversampling   Oversampling the spectra by using factor of 5;
+                        default to False.
   -e0 ENERGY_START, --energy_start ENERGY_START
                         Starting energy in eV; default to start of energy.
   -e1 ENERGY_STOP, --energy_stop ENERGY_STOP
@@ -97,7 +102,8 @@ optional arguments:
   -sh SHIFT, --shift SHIFT
                         Constant applied energy shift; default to 0.0.
   -c COLUMN COLUMN, --column COLUMN COLUMN
-                        Selected columns for the energy- and intensity-values; default to 0 for energy (x-axis) and 1 for
+                        Selected columns for the energy- and intensity-values;
+                        default to 0 for energy (x-axis) and 1 for
                         intensity (y-axis).
   -sep {	,,,;,:,|, ,s+}, --separator {	,,,;,:,|, ,s+}
                         Redefine the type of separator; default to ' '.
@@ -107,10 +113,13 @@ optional arguments:
                         Selected the header for the dataframe; default to None.
   -np, --noplot         No plotting the spectra and the fit of `spectrafit`.
   -v, --version         Display the current version of `spectrafit`.
-  -vb, --verbose        Display the initial configuration parameters as a dictionary.
+  -vb, --verbose        Display the initial configuration parameters as a
+                        dictionary.
   -g {0,1,2}, --global {0,1,2}
-                        Perform a global fit over the complete dataframe. The options are '0' for classic fit (default). The
-                        option '1' for global fitting with auto-definition of the peaks depending on the column size and '2'
+                        Perform a global fit over the complete dataframe. The
+                        options are '0' for classic fit (default). The
+                        option '1' for global fitting with auto-definition
+                        of the peaks depending on the column size and '2'
                         for self-defined global fitting routines.
 ```
 

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "SpectraFit"
-version = "0.6.0"
+version = "0.6.1"
 description = "Fast fitting of 2D-Spectra with established routines"
 readme = "README.md"
 authors = ["Anselm Hahn <Anselm.Hahn@gmail.com>"]

spectrafit/__init__.py

@@ -1,2 +1,2 @@
 """SpectraFit, fast command line tool for fitting data."""
-__version__ = "0.6.0"
+__version__ = "0.6.1"