diff --git a/.idea/workspace.xml b/.idea/workspace.xml
index fd47097..b9b0180 100644
--- a/.idea/workspace.xml
+++ b/.idea/workspace.xml
@@ -3,6 +3,8 @@
   <component name="ChangeListManager">
     <list default="true" id="f4439dc0-6756-4612-8f7d-596d8949f300" name="Default Changelist" comment="">
       <change beforePath="$PROJECT_DIR$/.idea/workspace.xml" beforeDir="false" afterPath="$PROJECT_DIR$/.idea/workspace.xml" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/docs/Examples/iterative_fitter.py" beforeDir="false" afterPath="$PROJECT_DIR$/docs/Examples/iterative_fitter.py" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/llepe/llepe.py" beforeDir="false" afterPath="$PROJECT_DIR$/llepe/llepe.py" afterDir="false" />
     </list>
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
@@ -279,7 +281,14 @@
       <option name="project" value="LOCAL" />
       <updated>1594768804938</updated>
     </task>
-    <option name="localTasksCounter" value="17" />
+    <task id="LOCAL-00017" summary="updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled">
+      <created>1594769933314</created>
+      <option name="number" value="00017" />
+      <option name="presentableId" value="LOCAL-00017" />
+      <option name="project" value="LOCAL" />
+      <updated>1594769933314</updated>
+    </task>
+    <option name="localTasksCounter" value="18" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -306,7 +315,8 @@
     <MESSAGE value="added example file to do iterative optimization" />
     <MESSAGE value="commented out skopt in optimizers" />
     <MESSAGE value="changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py" />
-    <option name="LAST_COMMIT_MESSAGE" value="changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py" />
+    <MESSAGE value="updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled" />
+    <option name="LAST_COMMIT_MESSAGE" value="updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled" />
   </component>
   <component name="WindowStateProjectService">
     <state x="-1330" y="212" key="#Inspections" timestamp="1590787654691">
@@ -326,11 +336,11 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1213" y="379" key="ANALYSIS_DLG_com.intellij.analysis.BaseAnalysisAction$1/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1590787657711" />
-    <state x="169" y="115" key="CommitChangelistDialog2" timestamp="1594768802170">
+    <state x="836" y="163" key="CommitChangelistDialog2" timestamp="1594770211231">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state x="-1364" y="117" key="CommitChangelistDialog2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321237444" />
-    <state x="169" y="115" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594768802170" />
+    <state x="836" y="163" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594770211231" />
     <state x="-1828" y="94" width="1736" height="856" key="DiffContextDialog" timestamp="1591048879404">
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
@@ -380,11 +390,11 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1245" y="438" width="437" height="168" key="VCS.ChangelistChooser/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321346068" />
-    <state x="552" y="254" key="Vcs.Push.Dialog.v2" timestamp="1594768807982">
+    <state x="552" y="254" key="Vcs.Push.Dialog.v2" timestamp="1594769935600">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state x="-1368" y="256" key="Vcs.Push.Dialog.v2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321242949" />
-    <state x="552" y="254" key="Vcs.Push.Dialog.v2/0.0.1920.1040@0.0.1920.1040" timestamp="1594768807982" />
+    <state x="552" y="254" key="Vcs.Push.Dialog.v2/0.0.1920.1040@0.0.1920.1040" timestamp="1594769935600" />
     <state x="263" y="182" width="1283" height="717" key="com.intellij.ide.util.TipDialog" timestamp="1594694030135">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
diff --git a/docs/Examples/iterative_fitter.py b/docs/Examples/iterative_fitter.py
index 1b03e51..34ab216 100644
--- a/docs/Examples/iterative_fitter.py
+++ b/docs/Examples/iterative_fitter.py
@@ -15,7 +15,7 @@ meas_pitzer_param_df = pd.read_csv("../../data/csvs/may_pitzer_params.csv")
 labeled_data = pd.read_csv("../../data/csvs/"
                            "zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv")
 exp_data = labeled_data.drop(labeled_data.columns[0], axis=1)
-xml_file = "../../data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml"
+xml_file = "PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml"
 eps = 1e-4
 mini_eps = 1e-8
 x_guesses = [[-5178500.0, -1459500.0],
@@ -103,8 +103,10 @@ while rel_diff > 1e-4:
                 'aq_solvent_name': 'H2O(L)',
                 'extractant_name': '(HA)2(org)',
                 'diluant_name': 'dodecane',
-                'complex_names': ['{0}(H(A)2)3(org)'.format(species)],
-                'extracted_species_ion_names': ['{0}+++'.format(species)],
+                'complex_names': ['{0}(H(A)2)3(org)'.format(species)
+                                  for species in species_list],
+                'extracted_species_ion_names': ['{0}+++'.format(species)
+                                                for species in species_list],
                 'aq_solvent_rho': 1000.0,
                 'extractant_rho': 960.0,
                 'diluant_rho': 750.0,
@@ -172,8 +174,8 @@ while rel_diff > 1e-4:
             pitzer_guess_dict[pitzer_param].append(value)
             if i > 2:
                 mini_rel_diff1 = np.abs(value_list[-1]
-                                        - value_list[-2])/(
-                    np.abs(value_list[-2]))
+                                        - value_list[-2]) / (
+                                     np.abs(value_list[-2]))
                 mini_rel_diff2 = np.abs(value_list[-2] - value_list[-3]) / (
                     np.abs(value_list[-3]))
                 if mini_rel_diff1 < mini_eps and mini_rel_diff2 < mini_eps:
@@ -184,11 +186,7 @@ while rel_diff > 1e-4:
     output_df = pd.DataFrame(output_dict)
     old_row = output_df.iloc[-2, :].values[3:]
     new_row = output_df.iloc[-1, :].values[3:]
-    rel_diff = np.sum(np.abs(new_row - old_row)/np.abs(old_row))
+    rel_diff = np.sum(np.abs(new_row - old_row) / np.abs(old_row))
     output_dict['rel_diff'].append(rel_diff)
     output_df = pd.DataFrame(output_dict)
     output_df.to_csv('outputs/iterative_fitter_output_df.csv')
-    
-
-
-
diff --git a/llepe/llepe.py b/llepe/llepe.py
index ad32334..91e1b3a 100644
--- a/llepe/llepe.py
+++ b/llepe/llepe.py
@@ -316,7 +316,7 @@ class LLEPE:
         except FileNotFoundError:
             self._phases_xml_filename = \
                 pkg_resources.resource_filename('llepe',
-                                                r'..\data\xmls\{0}'.format(
+                                                '..\data\xmls\{0}'.format(
                                                     phases_xml_filename))
             shutil.copyfile(self._phases_xml_filename,
                             self._temp_xml_file_path)
@@ -327,7 +327,7 @@ class LLEPE:
                 self._exp_df = pd.read_csv(self._exp_data)
             except FileNotFoundError:
                 self._exp_data = pkg_resources.resource_filename(
-                    'llepe', r'..\data\csvs\{0}'.format(self._exp_data))
+                    'llepe', '..\data\csvs\{0}'.format(self._exp_data))
                 self._exp_df = pd.read_csv(self._exp_data)
         else:
             self._exp_df = self._exp_data.copy()
@@ -442,7 +442,7 @@ class LLEPE:
                 self._exp_df = pd.read_csv(self._exp_data)
             except FileNotFoundError:
                 self._exp_data = pkg_resources.resource_filename(
-                    'llepe', r'..\data\csvs\{0}'.format(self._exp_data))
+                    'llepe', '..\data\csvs\{0}'.format(self._exp_data))
                 self._exp_df = pd.read_csv(self._exp_data)
         else:
             self._exp_df = exp_data.copy()
@@ -496,7 +496,7 @@ class LLEPE:
         except FileNotFoundError:
             self._phases_xml_filename = \
                 pkg_resources.resource_filename('llepe',
-                                                r'..\data\xmls\{0}'.format(
+                                                '..\data\xmls\{0}'.format(
                                                     phases_xml_filename))
             shutil.copyfile(self._phases_xml_filename,
                             self._temp_xml_file_path)