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NOMspectra
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NOMspectra
Tools for treatment high res mass spectrum of natural organic matter samples
GNU General Public License v3.0
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rotate x at classes bar plot
#70
alexandervolikov
closed
1 year ago
0
error when applying count method in gui
#69
alexandervolikov
closed
1 year ago
0
check isotope distribution
#68
alexandervolikov
closed
1 year ago
0
Not correct mass of some elemetns
#67
alexandervolikov
closed
1 year ago
0
gui add venn diagramm for 3 specs
#66
alexandervolikov
closed
1 year ago
1
gui fit graphs in vk-distr
#65
alexandervolikov
closed
1 year ago
1
sum intensity of duplicates
#64
alexandervolikov
closed
1 year ago
0
Kendrick mass defect with different mass difference
#63
alexandervolikov
closed
2 years ago
0
ValueError: array must not contain infs or NaNs
#62
alexandervolikov
closed
2 years ago
0
SpectrumList add get_names method
#61
alexandervolikov
closed
2 years ago
0
fix warnings hen plot vk and others
#60
alexandervolikov
closed
2 years ago
0
Add to metadata information during operation that change data
#59
alexandervolikov
closed
2 years ago
0
add typing in SpectrumList so it's elemets type as Spectrum
#58
alexandervolikov
closed
2 years ago
0
When recallibrate by assign appear mass more than exist
#57
alexandervolikov
closed
2 years ago
1
add noise filter
#56
alexandervolikov
closed
2 years ago
0
add typing in mass.py
#55
alexandervolikov
closed
2 years ago
0
Add assign by difmass series
#54
alexandervolikov
closed
2 years ago
0
Dont create MassSpectrum instance all time
#53
alexandervolikov
closed
2 years ago
0
open and save as json in MassSpectrum and MassSpectrumList
#52
alexandervolikov
closed
2 years ago
0
pick draw methods for external file
#51
alexandervolikov
closed
2 years ago
0
apply assign recallibaration only for mass < 500-550
#50
alexandervolikov
closed
2 years ago
0
Decorate brutto_gen with cache
#49
alexandervolikov
closed
2 years ago
0
may be it is good to add metadata to MassSpectrum object
#48
alexandervolikov
closed
2 years ago
0
Calculate sign from assign data
#47
alexandervolikov
closed
2 years ago
0
ib brutto method it is better calc rules for isotopes by different method
#46
alexandervolikov
closed
2 years ago
0
a lot of unnecessary calculation. It is better check before
#45
alexandervolikov
closed
2 years ago
0
method C_13 change initial spec, not just create new
#44
alexandervolikov
closed
2 years ago
0
add assign flag to load
#43
alexandervolikov
closed
2 years ago
0
remove self.elems from MassSpectrum
#42
alexandervolikov
closed
2 years ago
0
method sum_isotopes sum intensity too
#41
alexandervolikov
closed
2 years ago
0
method get DBE vs nO return values
#40
alexandervolikov
closed
2 years ago
0
add count method
#39
alexandervolikov
closed
2 years ago
0
In TMDS class many dublicates of MassSpectrum methods. It better use one.
#38
alexandervolikov
closed
2 years ago
0
No need more calc simmilarity into MassSpectrumList
#37
alexandervolikov
closed
2 years ago
0
not necessary tqdm here
#36
alexandervolikov
closed
2 years ago
0
Write examples into docstrings
#35
alexandervolikov
closed
2 years ago
0
correct assign method
#34
alexandervolikov
closed
2 years ago
0
add references for methods
#33
alexandervolikov
closed
2 years ago
0
merge MassSpectrum with VanKrevelen
#32
alexandervolikov
closed
2 years ago
0
add mass coordinate to error Kernel
#31
alexandervolikov
closed
2 years ago
0
add method __len__ for MassSpectrumList
#30
alexandervolikov
closed
2 years ago
0
**kwargs for all plot methods
#29
alexandervolikov
closed
2 years ago
0
Assign in narrow diapasone
#28
alexandervolikov
closed
2 years ago
0
Refactoring method's name in Class MassSpectrum
#27
alexandervolikov
closed
2 years ago
0
colot map of simmilarity matrix
#26
alexandervolikov
closed
2 years ago
0
recallibrate go wrong
#25
alexandervolikov
closed
2 years ago
0
calculate graph network for spec
#24
alexandervolikov
closed
2 years ago
0
Similarity calc based on chain length most common massdifference
#23
alexandervolikov
closed
2 years ago
0
Tmds cal method - remove num_max
#22
alexandervolikov
closed
2 years ago
0
Develop GUI
#21
alexandervolikov
closed
2 years ago
0
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