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Nmr annotation2d pf request #224

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Nmr annotation2d pf request #224

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mtremblayfr
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FOR CONTRIBUTOR:

  • - I have read the CONTRIBUTING.md document and this tool is appropriate for the tools-iuc repo.
  • - License permits unrestricted use (educational + commercial)
  • - This PR adds a new tool or tool collection
  • - This PR updates an existing tool or tool collection
  • - This PR does something else (explain below)

mtremblayfr and others added 30 commits December 3, 2021 10:43
@mtremblayfr @lecorguille
Annotation based on the PeakForest DB: replacement of R objects by re…
f57924e 
…quests on PeakForest; add of constraints on pH and magnetic field to reduce compound list used to annotate
@mtremblayfr @lecorguille
Output files updates with results based on the new version of annotat…
8e184d5 
…ion algorithm (Peakforest DB requests)
@mtremblayfr @lecorguille
Removal of unused output files
323b060
@mtremblayfr @lecorguille
Extended test to all 2D NMR sequences and add of generated output files
feee4ba
@mtremblayfr @lecorguille
Change of column number for metabolite name following modifications i…
d743ffb 
…n the Peakforest DB
@mtremblayfr @lecorguille
Correction of bugs on Peakforest DB requests and new output files wit…
0bd8388 
…h Threshold=0.3 and Unicity=No
@mtremblayfr @lecorguille
Output files for tests
5b18a41
@mtremblayfr @lecorguille
Change of the parameter 'unicity'
f90ac0a
@lecorguille
nmr_annotation2d - fix lintr multibyte
bb4e330
@lecorguille
Fix syntax according to lintr
2e8387e
@mtremblayfr
lintr corrections
fb6a713
@mtremblayfr
Changes from lintR warnings
1870e04
@mtremblayfr
lintR corrections
be9f12a
@mtremblayfr
lintR changes
a66c586
@mtremblayfr
Bug fixing in the output files
1b5e493
@mtremblayfr
Bug fixing in the output files
480e5cc
@mtremblayfr
lintr
0da0e2b
@mtremblayfr
Bug fix
d50f0f0
@mtremblayfr
Bug fix
405f494
@mtremblayfr
Tests to find out errors
b44dc2e
@mtremblayfr
Updates
f5c2a4c
@mtremblayfr
Removal of graph outputs to check encoding errors
7749881
@mtremblayfr
Latin-1 encoding: solve problem of graphs?
8a447d0
@mtremblayfr
UTF-8 encoding
ea4785a
@mtremblayfr
Conversion from UTF-8 to LATIN1 to solve graph problem
cd66e46
@mtremblayfr
New encodage
d630d02
@mtremblayfr
Removal of characters with accent
793e50e
@mtremblayfr
Modification of average score for combined annotation
1cd8a3e
@mtremblayfr
Modification of test files with updated results with new version of t…
9279435 
…he algorithm
@mtremblayfr
lint of the code
6b6ce7b
@mtremblayfr mtremblayfr requested a review from lecorguille as a code owner July 27, 2022 12:09
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@lecorguille lecorguille Awaiting requested review from lecorguille lecorguille is a code owner

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@mtremblayfr @lecorguille