Commit 69c89510 authored by Yan's avatar Yan
Browse files

Bruker MS/MS support fixed

* so-far no distinction between MS and MS/MS
parent fc7e5f81
...@@ -14,7 +14,7 @@ from . import zcetools_help ...@@ -14,7 +14,7 @@ from . import zcetools_help
from . import reactivitytools from . import reactivitytools
__version__ = "0.0.39" __version__ = "0.0.40"
__all__ = ['config', 'datatools', 'docks', 'drltools', 'datasets', __all__ = ['config', 'datatools', 'docks', 'drltools', 'datasets',
......
...@@ -160,7 +160,7 @@ class BrukerTimsDataset(Dataset): ...@@ -160,7 +160,7 @@ class BrukerTimsDataset(Dataset):
# devNote - summing is fast, asarray is fast, iterating is slow. # devNote - summing is fast, asarray is fast, iterating is slow.
intensities = np.asarray([ intensities = np.asarray([
np.sum(i['intensity']) for i in self.dataset.query_iter( np.sum(i['intensity']) for i in self.dataset.query_iter(
self.dataset.ms1_frames, columns=('intensity',))]) np.arange(self.dataset.max_frame)+1, columns=('intensity',))])
return [[times, intensities]] return [[times, intensities]]
def get_spectra(self, mint=None, maxt=None): def get_spectra(self, mint=None, maxt=None):
...@@ -192,7 +192,7 @@ class BrukerTimsDataset(Dataset): ...@@ -192,7 +192,7 @@ class BrukerTimsDataset(Dataset):
intensity = np.divide([ intensity = np.divide([
np.sum(i['intensity'][dt.argsubselect(i['mz'], startm, endm)]) np.sum(i['intensity'][dt.argsubselect(i['mz'], startm, endm)])
for i in self.dataset.query_iter( for i in self.dataset.query_iter(
self.dataset.ms1_frames, columns=('intensity', 'mz'))], np.arange(self.dataset.max_frame)+1, columns=('intensity', 'mz'))],
np.clip(self.chromatograms[0][1], np.finfo(np.float32).eps, None)) np.clip(self.chromatograms[0][1], np.finfo(np.float32).eps, None))
return intensity return intensity
......
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