saxs input data normalization correction for plot

diff --git a/django_simple/todo/jobfiles.py b/django_simple/todo/jobfiles.py
index d9b8c7c..9284dd3 100644 (file)
--- a/django_simple/todo/jobfiles.py
+++ b/django_simple/todo/jobfiles.py
@@ -401,6 +401,7 @@ CUTOFF=7.00000 WCORR4=0.00000"""
              saxs_r=[]
              saxs_P=[]
              saxs_norm=0
+             r_last=None
              fsaxs = open(instance.jobdirname+'/saxs.data', 'w')
              lines=instance.saxs_data.split('\n')
              for line in lines:
@@ -409,7 +410,11 @@ CUTOFF=7.00000 WCORR4=0.00000"""
                f.write(tmp[0]+' '+tmp[1]+'\n')
                saxs_r.append(tmp[0])
                saxs_P.append(float(tmp[1]))
-               saxs_norm += float(tmp[1])
+               if r_last==None:
+                  r_last=float(tmp[0])
+               else:
+                  saxs_norm += float(tmp[1])*(float(tmp[0])-r_last)
+                  r_last=float(tmp[0])
              for r,p in zip(saxs_r,saxs_P):
                fsaxs.write('{} {}\n'.format(r,p/saxs_norm)) 
              fsaxs.close()