diff --git a/DESCRIPTION b/DESCRIPTION index 8d8d5cc5e73a2f16064a48a40dc111e175782649..4b5ba23cbcea4498c818378f23a4eba2e9ff8660 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,8 +1,8 @@ Package: phoenics Type: Package Title: Pathways Longitudinal and Differential Analysis in Metabolomics -Version: 0.3 -Date: 2024-07-22 +Version: 0.4 +Date: 2024-09-23 Depends: R (>= 4.0.0) Imports: lme4, blme, tibble, FactoMineR, factoextra, tidyr, stats Suggests: KEGGREST @@ -25,4 +25,4 @@ Encoding: UTF-8 NeedsCompilation: no URL: https://forgemia.inra.fr/panoramics/phoenics LazyData: true -RoxygenNote: 7.3.1 +RoxygenNote: 7.3.2 diff --git a/NEWS.md b/NEWS.md index 906a5579c0c2d91825a570ab462dd52479ec6d9a..a8c313b5a98d842b94d32dbd91a84d0cebceff14 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,4 +1,10 @@ -# phoenics 0.3 [2024-07-22] +# phoenics 0.4 [2024-09-23] + +## Improvement: + +* updated the file of correspondance between metabolite names and codes (ASICS_library_codes.txt) with new metabolites + +# phoenics 0.3 ## Improvement: diff --git a/inst/adddata/ASICS_library_codes.txt b/inst/adddata/ASICS_library_codes.txt index edeb0f2ee584801cf3f2a36e0cf55e0affd36e9c..12a79f106c8b7ca1d00a704452efc92fdc6b0c04 100644 --- a/inst/adddata/ASICS_library_codes.txt +++ b/inst/adddata/ASICS_library_codes.txt @@ -196,7 +196,7 @@ "Biliverdin" "Biliverdin" "HMDB0001008" "5353439" "C00500" "CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O" "1" "Canthaxanthin" "Canthaxanthin" "HMDB0003154" "5281227" "C08583" "C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C" "1" "Chlorophyll-a" "Chlorophyll-a" "HMDB0038578" "12085802" "C05306" "CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(N34)N3C(=CC1=[N+]25)C(C)=C1C(=O)[C@H](C(=O)OC)C6=C31" "1" -"Coenzyme-Q10" "Coenzyme-Q10" NA NA "C11378" "NA" "1" +"Coenzyme-Q10" "Coenzyme-Q10" NA NA "C11378" NA "1" "D-Galactosamine" "D-Galactosamine" NA "3034366" "C02262" NA "1" "D-GalacturonicAcid" "D-Galacturonic acid" "HMDB0002545" "84740" "C00333" "O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O" "1" "D-Glucosamine" "D-Glucosamine" "HMDB0001514" "439213" "C00329" "N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O" "1" @@ -215,3 +215,5 @@ "PhosphoglycolicAcid" "Phosphoglycolic acid" "HMDB0000816" "529" "C00988" "OC(=O)COP(O)(O)=O" "1" "Retinal" "Retinal" "HMDB0001358" "638015" "C00376" "C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O" "1" "StearicAcid" "Stearic acid" "HMDB0000827" "5281" "C01530" "CCCCCCCCCCCCCCCCCC(O)=O" "1" +"Long-chain_alkane" "Long-chain_alkane" NA "354264355" "C21763" NA "1" +"Saturated_fatty_acids" "Saturated_fatty_acids" "HMDB0000806" "8659" "C06424" "CCCCCCCCCCCCCC(O)=O" "1"