Sorting on predicted retention time for calibration

Big thank you to @courcelm for figuring this one out!
compomics · May 18, 2020 · 3fe2d27 · 3fe2d27
1 parent 0002872
commit 3fe2d27
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/deeplc/deeplc.py b/deeplc/deeplc.py
@@ -658,7 +658,7 @@ def calibrate_preds_func(self,
 
         # sort two lists, predicted and observed based on measured tr
         tr_sort = [(mtr, ptr) for mtr, ptr in sorted(
-            zip(measured_tr, predicted_tr), key=lambda pair: pair[0])]
+            zip(measured_tr, predicted_tr), key=lambda pair: pair[1])]
         measured_tr = np.array([mtr for mtr, ptr in tr_sort])
         predicted_tr = np.array([ptr for mtr, ptr in tr_sort])
 
@@ -732,7 +732,6 @@ def calibrate_preds_func(self,
                 if v > calibrate_max:
                     calibrate_max = v
                 calibrate_dict[str(round(v, self.bin_dist))] = [slope, intercept]
-                print(v)
 
         return calibrate_min, calibrate_max, calibrate_dict