Merge branch 'SplitWithPyEPR' into ImporvedPulseOptimisation

README.md

@@ -33,6 +33,6 @@ At this time autoDEER is only avaliable from source. A packaged release will com
 
 ## License
 AutoDEER is licensed under the GNU GPLv3 public license, and is released without
-warrenty or liability.
+warrenty or liability. Comercial use is allowed, however it is advised to contact the authors for support.
 
-Copyright © 2021-2023: Hugo Karas, Stefan Stoll, and Gunnar Jeschke
+Copyright © 2021-2024: Hugo Karas, Stefan Stoll, and Gunnar Jeschke

autodeer/DEER_analysis.py

@@ -5,7 +5,8 @@
 from scipy.integrate import cumulative_trapezoid
 import logging
 import importlib
-from autodeer.Relaxation import RefocusedEcho2DAnalysis, CarrPurcellAnalysis, HahnEchoRelaxationAnalysis
+from pyepr import CarrPurcellAnalysis, HahnEchoRelaxationAnalysis, round_step
+from autodeer.ref_2D_analysis import RefocusedEcho2DAnalysis
 import scipy.fft as fft
 from deerlab import correctphase
 from scipy.interpolate import interp1d
@@ -15,8 +16,7 @@
 from scipy.optimize import minimize,brute
 import scipy.optimize as opt
 from autodeer.colors import primary_colors, ReIm_colors
-from autodeer.utils import round_step
-from autodeer.relaxation_autodeer import calculate_optimal_tau
+from autodeer.delay_optimise import calculate_optimal_tau
 import scipy.signal as signal
 import dill
 
@@ -1329,7 +1329,10 @@ def calc_DEER_settings(relaxation_data,mode='auto', target_time=2,
     if (tau2_4p >= 2*tau1_5p) and (V_4p > V_5p * 0.9):
         mode = '4pDEER'
 
-    if (tau1_5p < 1.5) or mode =='4pDEER':
+    if (tau1_5p <1) and (tau2_4p > 0.1):
+        mode = '4pDEER'
+
+    if mode =='4pDEER':
         # Use four-pulse DEER
         deer_settings = {
             'ExpType': '4pDEER',