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Jan Zelenka
prasopes
Commits
283d1a7e
Commit
283d1a7e
authored
Apr 04, 2019
by
3Yan
Browse files
Fixes after last commit
* Fixed if statement in autozoomy * Masses prediction now calibrated to the main mass
parent
89237278
Changes
3
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Inline
Side-by-side
prasopes/__main__.py
View file @
283d1a7e
...
...
@@ -100,7 +100,7 @@ def about(parent):
QtWidgets
.
QMessageBox
.
information
(
parent
,
"About Prasopes"
,
"Prasopes Finnigan raw file viewer
\n\n
"
"Version: 0.0.
9
(alpha)"
)
"Version: 0.0.
10
(alpha)"
)
def
main
():
...
...
prasopes/graphtools.py
View file @
283d1a7e
...
...
@@ -150,7 +150,7 @@ def autozoomy(state, ms_spec, msdata):
ms_spec
.
autoscale
(
True
,
'y'
)
ymin
=
-
0.01
argvis
=
dt
.
argsubselect
(
msdata
[
'x'
],
*
ms_spec
.
get_xlim
())
if
msdata
[
'y'
]
!=
[
0
]:
if
not
np
.
array_equal
(
msdata
[
'y'
]
,
[
0
]
)
:
ymax
=
max
(
msdata
[
'y'
][
argvis
])
ms_spec
.
set_ylim
(
ymax
*
ymin
,
ymax
*
1.1
)
...
...
@@ -245,11 +245,12 @@ def populate(mpl_chromatogram, mpl_spectrum, data_set,
mass_spect
[
'y'
]
=
np
.
mean
(
data_set
[
'matrix'
],
axis
=
0
)
pop_plot
(
mpl_spectrum
,
mass_spect
)
if
mass_spect
[
'predict'
]
!=
None
:
crudemasses
=
(
np
.
arange
(
len
(
mass_spect
[
'predict'
][
1
]))
+
mass_spect
[
'predict'
][
0
])
maxm
=
crudemasses
[
np
.
argmax
(
mass_spect
[
'predict'
][
1
])]
maxm
=
np
.
argmax
(
mass_spect
[
'predict'
][
1
])
+
mass_spect
[
'predict'
][
0
]
maxseek
=
dt
.
argsubselect
(
mass_spect
[
'x'
],
maxm
-
.
5
,
maxm
+
.
5
)
crudeints
=
mass_spect
[
'predict'
][
1
]
*
np
.
amax
(
mass_spect
[
'y'
][
maxseek
])
maxpos
=
maxseek
[
np
.
argmax
(
mass_spect
[
'y'
][
maxseek
])]
crudeints
=
mass_spect
[
'predict'
][
1
]
*
mass_spect
[
'y'
][
maxpos
]
crudemasses
=
(
np
.
arange
(
len
(
mass_spect
[
'predict'
][
1
]))
+
mass_spect
[
'x'
][
maxpos
])
pmasses
,
pints
=
[],
[]
[
pmasses
.
extend
([
np
.
nan
,
i
,
i
])
for
i
in
crudemasses
]
[
pints
.
extend
([
np
.
nan
,
0
,
i
])
for
i
in
crudeints
]
...
...
setup.py
View file @
283d1a7e
...
...
@@ -5,7 +5,7 @@ with open("README.md", "r") as fh:
setup
(
name
=
"prasopes"
,
version
=
"0.0.
9
"
,
version
=
"0.0.
10
"
,
author
=
"Jan Zelenka"
,
author_email
=
"3yanyanyan@gmail.com"
,
description
=
"Thermo/Finnigan .raw file viewer based on rawprasslib"
,
...
...
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