chromatography-rt-prediction / artifacts /summary /figure_source_data /figure2_property_distributions.csv
| property,bin_lower,bin_upper,bin_center,count,percentage | |
| MW,115.22,181.53575000000004,148.37787500000002,322,8.527542372881355 | |
| MW,181.53575000000004,247.85150000000007,214.69362500000005,696,18.43220338983051 | |
| MW,247.85150000000007,314.1672500000001,281.0093750000001,648,17.16101694915254 | |
| MW,314.1672500000001,380.4830000000002,347.3251250000001,1456,38.559322033898304 | |
| MW,380.4830000000002,446.79875000000015,413.64087500000016,614,16.260593220338983 | |
| MW,446.79875000000015,513.1145000000002,479.9566250000002,34,0.9004237288135594 | |
| MW,513.1145000000002,579.4302500000002,546.2723750000002,4,0.1059322033898305 | |
| MW,579.4302500000002,645.7460000000003,612.5881250000002,2,0.05296610169491525 | |
| LogP,-0.3863000000000001,0.6473250000000006,0.13051250000000025,7,0.1853813559322034 | |
| LogP,0.6473250000000006,1.6809500000000013,1.164137500000001,300,7.944915254237288 | |
| LogP,1.6809500000000013,2.7145750000000017,2.1977625000000014,896,23.728813559322035 | |
| LogP,2.7145750000000017,3.7482000000000024,3.231387500000002,910,24.09957627118644 | |
| LogP,3.7482000000000024,4.781825000000003,4.265012500000003,864,22.88135593220339 | |
| LogP,4.781825000000003,5.815450000000004,5.298637500000003,480,12.711864406779661 | |
| LogP,5.815450000000004,6.8490750000000045,6.332262500000004,268,7.0974576271186445 | |
| LogP,6.8490750000000045,7.882700000000006,7.365887500000005,51,1.350635593220339 | |
| TPSA,0.0,19.181250000000002,9.590625000000001,239,6.329449152542373 | |
| TPSA,19.181250000000002,38.362500000000004,28.771875,1673,44.30614406779661 | |
| TPSA,38.362500000000004,57.54375,47.953125,1102,29.184322033898308 | |
| TPSA,57.54375,76.72500000000001,67.134375,436,11.546610169491526 | |
| TPSA,76.72500000000001,95.90625000000001,86.31562500000001,263,6.9650423728813555 | |
| TPSA,95.90625000000001,115.0875,105.49687500000002,44,1.1652542372881356 | |
| TPSA,115.0875,134.26875,124.67812500000001,16,0.423728813559322 | |
| TPSA,134.26875,153.45000000000002,143.859375,3,0.07944915254237289 | |
| RT,0.46,3.30375,1.881875,316,8.36864406779661 | |
| RT,3.30375,6.1475,4.725625,1336,35.38135593220339 | |
| RT,6.1475,8.99125,7.569375000000001,1031,27.304025423728813 | |
| RT,8.99125,11.835,10.413125,603,15.96927966101695 | |
| RT,11.835,14.67875,13.256875,259,6.859110169491525 | |
| RT,14.67875,17.5225,16.100625,118,3.125 | |
| RT,17.5225,20.36625,18.944375,104,2.754237288135593 | |
| RT,20.36625,23.21,21.788125,9,0.23834745762711865 | |