Revision c45a7e66a8a89c436d41b8431938b35acfa4e53b authored by Heiner Atze on 17 August 2021, 11:38:48 UTC, committed by Heiner Atze on 17 August 2021, 11:38:48 UTC
1 parent d4fc31a
Tri_all_labeling_variants.csv
,monoisotopic_mass,M_H,M_2H,labeling,labeling_pattern
0,910.466862047073,911.474687079273,456.241256055736,"[('C', 13), ('N', 15)]",+++++
1,901.449308412658,902.457133444858,451.732479238529,"[('C', 13), ('N', 15)]",++++-
2,904.453052977257,905.460878009457,453.234351520828,"[('C', 13), ('N', 15)]",+++-+
3,895.435499342842,896.443324375042,448.725574703621,"[('C', 13), ('N', 15)]",+++--
4,906.459762647401,907.467587679601,454.237706355901,"[('C', 13), ('N', 15)]",++-++
5,897.442209012986,898.450034045186,449.728929538693,"[('C', 13), ('N', 15)]",++-+-
6,900.445953577585,901.453778609785,451.230801820993,"[('C', 13), ('N', 15)]",++--+
7,891.428399943171,892.436224975371,446.722025003785,"[('C', 13), ('N', 15)]",++---
8,898.432923966823,899.440748999023,450.224287015612,"[('C', 13), ('N', 15)]",+-+++
9,889.415370332408,890.423195364608,445.715510198404,"[('C', 13), ('N', 15)]",+-++-
10,892.419114897007,893.426939929207,447.217382480704,"[('C', 13), ('N', 15)]",+-+-+
11,883.401561262592,884.409386294792,442.708605663496,"[('C', 13), ('N', 15)]",+-+--
12,894.425824567152,895.433649599351,448.220737315776,"[('C', 13), ('N', 15)]",+--++
13,885.408270932737,886.416095964937,443.711960498568,"[('C', 13), ('N', 15)]",+--+-
14,888.412015497336,889.419840529536,445.213832780868,"[('C', 13), ('N', 15)]",+---+
15,879.394461862921,880.402286895121,440.70505596366,"[('C', 13), ('N', 15)]",+----
16,901.44298847204,902.45081350424,451.72931926822,"[('C', 13), ('N', 15)]",-++++
17,892.425434837625,893.433259869825,447.220542451012,"[('C', 13), ('N', 15)]",-+++-
18,895.429179402224,896.437004434424,448.722414733312,"[('C', 13), ('N', 15)]",-++-+
19,886.411625767809,887.419450800009,444.213637916105,"[('C', 13), ('N', 15)]",-++--
20,897.435889072369,898.443714104569,449.725769568384,"[('C', 13), ('N', 15)]",-+-++
21,888.418335437954,889.426160470154,445.216992751177,"[('C', 13), ('N', 15)]",-+-+-
22,891.422080002553,892.429905034753,446.718865033476,"[('C', 13), ('N', 15)]",-+--+
23,882.404526368138,883.412351400338,442.210088216269,"[('C', 13), ('N', 15)]",-+---
24,889.40905039179,890.41687542399,445.712350228095,"[('C', 13), ('N', 15)]",--+++
25,880.391496757375,881.399321789575,441.203573410888,"[('C', 13), ('N', 15)]",--++-
26,883.395241321974,884.403066354174,442.705445693187,"[('C', 13), ('N', 15)]",--+-+
27,874.377687687559,875.385512719759,438.19666887598,"[('C', 13), ('N', 15)]",--+--
28,885.401950992119,886.409776024319,443.708800528259,"[('C', 13), ('N', 15)]",---++
29,876.384397357704,877.392222389904,439.200023711052,"[('C', 13), ('N', 15)]",---+-
30,879.388141922303,880.395966954503,440.701895993352,"[('C', 13), ('N', 15)]",----+
31,870.370588287888,871.378413320088,436.193119176144,"[('C', 13), ('N', 15)]",-----
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