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EuracBiomedicalResearch
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lcms-standards
Measurements of standard compounds in LC/MS setups and configurations at Eurac Research
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Small fixes and updates
#48
jorainer
closed
3 years ago
0
Andrea
#47
andreavicini
closed
3 years ago
0
Update/reformat the standards-preprocessing Rmd file
#46
jorainer
closed
3 years ago
1
Andrea
#45
andreavicini
closed
3 years ago
1
Perform chromatographic peak detection on each file.
#44
jorainer
opened
3 years ago
0
Define database table layout
#43
jorainer
opened
3 years ago
1
refactor: replace adduct definition
#42
jorainer
closed
3 years ago
0
Jomaster
#41
jorainer
closed
3 years ago
0
Vinicius
#40
vveri
closed
4 years ago
0
increase error margin for C and A1 rules
#39
mar-garcia
closed
4 years ago
0
improve C rule, and add rule for isotope A+1 and for 34S
#38
mar-garcia
closed
4 years ago
0
replace "CHNOSZ" package
#37
mar-garcia
closed
4 years ago
0
Small changes to formula_finder.Rmd
#36
jorainer
closed
4 years ago
0
C rule: % error according to intensity
#35
mar-garcia
closed
4 years ago
0
general updates in "formula finder" codes
#34
mar-garcia
closed
4 years ago
0
improving "formula finder" code
#33
mar-garcia
closed
4 years ago
0
updates
#32
mar-garcia
closed
4 years ago
0
combine FS spectras within a specific time range
#31
mar-garcia
closed
4 years ago
0
Codes for formula finder
#30
mar-garcia
closed
4 years ago
0
Update standards_dilution.txt
#29
vveri
closed
4 years ago
0
Updated adducts
#28
vveri
closed
4 years ago
0
updates databases
#27
mar-garcia
closed
4 years ago
0
Update inhouse databases + code for calibration curves of dinamic range experiment
#26
mar-garcia
closed
4 years ago
0
General updates & Tasks associated with issues #22 and #23
#25
mar-garcia
closed
4 years ago
0
Add additional columns to standard_dilution.txt
#24
jorainer
closed
4 years ago
0
Specify retention times of standards observed in serum samples
#23
jorainer
closed
4 years ago
2
Create R-code to create EIC for all standards in serum samples
#22
jorainer
closed
4 years ago
1
Search & plot MS2 spectra (+ other small updates)
#21
mar-garcia
closed
4 years ago
0
Update code for processing experiments with MIXs (2020_01) + other small updates
#20
mar-garcia
closed
4 years ago
0
updates with different type of samples (IS, MIX, QC serum)
#19
mar-garcia
closed
4 years ago
0
Modification of choline + codes for feature filtering + grouping + annotation + evaluation [also XCMS (processing + evaluation)]
#18
mar-garcia
closed
4 years ago
0
std_serum experiment: first results
#17
mar-garcia
closed
4 years ago
0
Trial mar
#16
mar-garcia
closed
4 years ago
0
Trial mar
#15
mar-garcia
closed
4 years ago
0
Update standards table with data from HMDB (issues #12, #13)
#14
jorainer
closed
4 years ago
0
standards with wrong neutral mass
#13
jorainer
closed
4 years ago
5
standards with wrong formula
#12
jorainer
closed
4 years ago
4
addition HMDB codes
#11
mar-garcia
closed
4 years ago
1
Trial mar
#10
mar-garcia
closed
4 years ago
0
Background ions
#9
mar-garcia
opened
4 years ago
1
MIX: potential changes
#8
mar-garcia
opened
4 years ago
0
IS: potential changes (NEG)
#7
mar-garcia
opened
4 years ago
0
Peak detection problems
#6
mar-garcia
closed
3 years ago
1
Get list of mzML files in which standards for known compounds were measured
#5
jorainer
closed
4 years ago
0
(Re)-define the retention times for the *known compounds*
#4
jorainer
closed
4 years ago
0
Define retention times for internal standards
#3
jorainer
closed
4 years ago
1
Compare retention times between water and serum
#2
jorainer
closed
3 years ago
0
Compare retention times between POS and NEG
#1
jorainer
closed
3 years ago
0
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