add outputs

examples/outputs/2_neg_fragnotation/NEG_002_2_Hydroxy_4_6_dimethoxyacetophenone_edges.csv

@@ -0,0 +1,223 @@
+Index,node_1,node_2,matched_peaks,total_peaks,matching_score,rt_gap,mz_gap,status,Fragnotation,All_annotations
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+1,2,191,3.0,26.0,0.12,-1.6359999999999673,88.9881,frag_edge,,88.9881
+2,4,191,3.0,24.0,0.12,-0.8830000000000382,43.99010000000001,frag_edge,CO2,CO2
+3,5,15,9.0,42.0,0.21,0.008000000000038199,43.99019999999999,frag_edge,CO2,CO2
+4,5,185,5.0,28.0,0.18,0.8090000000000259,87.00889999999998,frag_edge,,87.0089
+5,7,184,3.0,18.0,0.17,0.05400000000003047,129.959,frag_edge,,129.959
+6,10,85,8.0,40.0,0.2,7.535000000000025,46.005100000000084,frag_edge,HCOOH,HCOOH
+7,12,5,9.0,36.0,0.25,-0.4070000000000391,67.9879,frag_edge,,67.9879
+8,12,15,6.0,35.0,0.17,-0.3990000000000009,111.97809999999998,frag_edge,,111.9781
+9,15,185,5.0,31.0,0.16,0.8009999999999877,43.018699999999995,frag_edge,,43.0187
+10,16,21,4.0,28.0,0.14,-0.2470000000000141,43.9898,frag_edge,CO2,CO2
+11,18,4,4.0,17.0,0.24,-0.16699999999991633,161.9259,frag_edge,,161.9259
+12,18,191,3.0,26.0,0.12,-1.0499999999999545,205.91600000000003,frag_edge,,205.916
+13,25,11,6.0,34.0,0.18,-0.7189999999999941,135.88219999999998,frag_edge,,135.8822
+14,25,185,5.0,24.0,0.21,0.026999999999986812,183.88789999999997,frag_edge,,183.8879
+15,52,100,4.0,20.0,0.2,-1.154,145.93189999999998,frag_edge,,145.9319
+16,52,224,3.0,26.0,0.12,-0.5150000000000001,189.9218,frag_edge,,189.9218
+17,67,185,5.0,22.0,0.23,1.629000000000019,183.908,frag_edge,,183.908
+18,69,162,4.0,35.0,0.11,0.19399999999995998,90.0507,frag_edge,,90.0507
+19,75,102,3.0,31.0,0.1,-2.105000000000018,88.9879,frag_edge,,88.9879
+20,77,221,3.0,26.0,0.12,-4.618000000000052,145.93119999999996,frag_edge,,145.9312
+21,78,186,3.0,21.0,0.14,2.0429999999999495,107.99379999999996,frag_edge,,107.9938
+22,83,82,8.0,33.0,0.24,0.0,90.05060000000003,frag_edge,,90.0506
+23,84,82,7.0,32.0,0.22,-1.406000000000006,136.05650000000003,frag_edge,,136.0565
+24,92,136,3.0,25.0,0.12,8.879999999999995,312.1078,frag_edge,,312.1078
+25,94,224,4.0,25.0,0.16,0.6629999999999998,88.9879,frag_edge,,88.9879
+26,96,102,4.0,34.0,0.12,-0.26499999999998636,43.99000000000001,frag_edge,CO2,CO2
+27,100,224,5.0,22.0,0.23,0.6389999999999998,43.989900000000006,frag_edge,CO2,CO2
+28,153,221,3.0,24.0,0.12,-2.719000000000051,67.98809999999997,frag_edge,,67.9881
+29,185,200,5.0,17.0,0.29,-0.4309999999999832,12.0,frag_edge,,12.0
+30,187,24,3.0,28.0,0.11,-0.005999999999971806,89.99599999999998,frag_edge,,89.996
+31,187,185,5.0,20.0,0.25,-0.031999999999982265,167.9141,frag_edge,,167.9141
+32,187,189,4.0,23.0,0.17,0.5169999999999959,111.97809999999998,frag_edge,,111.9781
+33,194,4,4.0,16.0,0.25,-0.01899999999989177,145.9312,frag_edge,,145.9312
+34,194,191,3.0,26.0,0.12,-0.90199999999993,189.9213,frag_edge,,189.9213
+35,195,184,3.0,20.0,0.15,-0.031999999999982265,147.93189999999998,frag_edge,,147.9319
+36,197,184,3.0,16.0,0.19,-0.5059999999999718,67.9881,frag_edge,,67.9881
+37,205,184,3.0,25.0,0.12,5.370999999999981,145.93129999999996,frag_edge,,145.9313
+38,213,22,3.0,27.0,0.11,-0.4390000000000782,46.00619999999998,frag_edge,HCOOH,HCOOH
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