Experimental support for newer rawautoparams

prasopes/__main__.py

@@ -79,7 +79,7 @@ def load_file(parent, chrom_plot, spc, d_set, ms_s, fn, chrom_s,
                 return
             if autoparams == True:
                 try:
-                    ms_s['params'], rawheaders = load_params(filename)
+                    ms_s['params'], rawheaders, chrom_s['machtype'] = load_params(filename)
                     segments = [len(subset['chrom_dat'][0]) for subset in d_set]
                     indicies = [sum(segments[:i+1]) for i in range(len(segments))]
                     ms_s['headers'] = np.split(rawheaders, indicies)[:-1]
@@ -203,7 +203,7 @@ def main():
     ms = dict(annotation=[], name="Spectrum", xlabel="m/z",
               ylabel="ion count", xtics=20, predict=None,
               params=[], headers=[], texts=[])
-    chrom = dict(x=[0], y=[0], t_start=None, t_end=None,
+    chrom = dict(x=[0], y=[0], t_start=None, t_end=None, machtype=None,
                  name="Chromatogram", xlabel="time(min)",
                  ylabel="total ion count", timesarg=[])
     filename = [None]

prasopes/graphtools.py

@@ -377,12 +377,17 @@ def legendize(rawlegend, chrom_data):
     marks = ["-","+"]
     quads = ["q3","q1"]
     def translate(wut):
+        if chrom_data['machtype'] == 47:
             if wut[1] in (0,1):
                 text = "{}{}ms; m/z = {:.1f}-{:.1f}".format(
                         marks[int(wut[0])], quads[int(wut[1])], *wut[4:])
             else:
                 text = "{}ms^{} {:.2f}@{:.1f}V; m/z = {:.1f}-{:.1f}".format(
                         marks[int(wut[0])], *wut[1:])
+        elif chrom_data['machtype'] == 57:
+            text = "ms; m/z = {:.2f}@{:.1f}V; m/z = {:.1f}-{:.1f}".format(*wut)
+        else:
+            text = "unknown header type"
         return text
     strdata = [translate(i) for i in np.unique(np.array(rawlegend), axis=0)]
     strtext = " and ".join(strdata) + "; t = {:.2f}-{:.2f} min".format(