*>dput(head(df1, 30))*
structure(list(new.col.ppm.p..freq.p. = structure(c(22L, 21L,
20L, 19L, 18L, 17L, 16L, 15L, 14L, 13L, 12L, 11L, 10L, 9L, 8L,
7L, 6L, 5L, 4L, 3L, 2L, 1L, 24L, 23L, 26L, 25L, 90L, 89L, 88L,
87L), .Label = c("1_3_diaminopropane -0.00533455 7.32726",
"1_3_diaminopropane 0.00021588 103.234",
"1_3_diaminopropane 0.00655923 7.6155", "1_3_diaminopropane 2.04634
32.1115",
"1_3_diaminopropane 2.0618 72.4135", "1_3_diaminopropane 2.06497 49.6692",
"1_3_diaminopropane 2.07251 47.5652", "1_3_diaminopropane 2.07727 135.629",
"1_3_diaminopropane 2.08242 51.5292", "1_3_diaminopropane 2.09312 79.8969",
"1_3_diaminopropane 2.10859 37.0658", "1_3_diaminopropane 3.07912 5.6996",
"1_3_diaminopropane 3.0807 7.47272", "1_3_diaminopropane 3.08943 308.2",
"1_3_diaminopropane 3.09617 44.1467", "1_3_diaminopropane 3.10528 337.852",
"1_3_diaminopropane 3.1152 44.6212", "1_3_diaminopropane 3.12075 298.243",
"1_3_diaminopropane 3.13383 9.64184", "1_3_diaminopropane 3.13541 8.0142",
"1_3_diaminopropane 3.137 6.65388", "1_3_diaminopropane 3.13859 5.67516",
"1_3_dimethylurea 2.66393 39.238", "1_3_dimethylurea 4.80643 88.4026",
"1_amino_1_phenylmethyl_phosphonic_acid 4.81412 105.11",
"1_amino_1_phenylmethyl_phosphonic_acid 7.44687 7.1684",
"2_3_diphospho_D_glyceric_acid 0.000156828 127.55",
"2_3_diphospho_D_glyceric_acid 1.12848 35.0817",
"2_3_diphospho_D_glyceric_acid 1.13681 45.9263",
"2_3_diphospho_D_glyceric_acid 1.14513 64.8014",
"2_3_diphospho_D_glyceric_acid 1.15306 116.661",
"2_3_diphospho_D_glyceric_acid 1.1598 115.19",
"2_3_diphospho_D_glyceric_acid 1.1709 102.384",
"2_3_diphospho_D_glyceric_acid 1.17764 140.963",
"2_3_diphospho_D_glyceric_acid 1.18478 115.727",
"2_3_diphospho_D_glyceric_acid 1.19548 62.2725",
"2_3_diphospho_D_glyceric_acid 1.20262 74.4761",
"2_3_diphospho_D_glyceric_acid 1.20936 48.6332",
"2_3_diphospho_D_glyceric_acid 1.21808 10.5804",
"2_3_diphospho_D_glyceric_acid 1.22482 6.26529",
"2_3_diphospho_D_glyceric_acid 1.27239 64.2389",
"2_3_diphospho_D_glyceric_acid 1.27834 93.7896",
"2_3_diphospho_D_glyceric_acid 1.29737 211.264",
"2_3_diphospho_D_glyceric_acid 1.30371 298.131",
"2_3_diphospho_D_glyceric_acid 1.32076 616.226",
"2_3_diphospho_D_glyceric_acid 1.32671 503.942",
"2_3_diphospho_D_glyceric_acid 1.33107 662.735",
"2_3_diphospho_D_glyceric_acid 1.33741 593.161",
"2_3_diphospho_D_glyceric_acid 1.35208 290.138",
"2_3_diphospho_D_glyceric_acid 1.35724 310.132",
"2_3_diphospho_D_glyceric_acid 1.36992 38.1639",
"2_3_diphospho_D_glyceric_acid 1.38182 93.7426",
"2_3_diphospho_D_glyceric_acid 1.62604 191.929",
"2_3_diphospho_D_glyceric_acid 1.6522 179.805",
"2_3_diphospho_D_glyceric_acid 1.77788 274.143",
"2_3_diphospho_D_glyceric_acid 1.78462 294.731",
"2_3_diphospho_D_glyceric_acid 1.79572 410.836",
"2_3_diphospho_D_glyceric_acid 1.80167 361.596",
"2_3_diphospho_D_glyceric_acid 1.82585 30.7865",
"2_3_diphospho_D_glyceric_acid 1.95311 34.917",
"2_3_diphospho_D_glyceric_acid 1.95787 30.7119",
"2_3_diphospho_D_glyceric_acid 1.97849 465.916",
"2_3_diphospho_D_glyceric_acid 1.99395 300.192",
"2_3_diphospho_D_glyceric_acid 3.10007 55.6859",
"2_3_diphospho_D_glyceric_acid 3.108 92.3526",
"2_3_diphospho_D_glyceric_acid 3.12148 159.122",
"2_3_diphospho_D_glyceric_acid 3.12981 193.855",
"2_3_diphospho_D_glyceric_acid 3.13813 121.311",
"2_3_diphospho_D_glyceric_acid 3.14289 114.087",
"2_3_diphospho_D_glyceric_acid 3.15121 92.128",
"2_3_diphospho_D_glyceric_acid 3.96911 17.9823",
"2_3_diphospho_D_glyceric_acid 3.97823 36.9309",
"2_3_diphospho_D_glyceric_acid 3.99052 57.8175",
"2_3_diphospho_D_glyceric_acid 3.99964 100.939",
"2_3_diphospho_D_glyceric_acid 4.00876 61.2461",
"2_3_diphospho_D_glyceric_acid 4.01232 60.9695",
"2_3_diphospho_D_glyceric_acid 4.01906 70.3493",
"2_3_diphospho_D_glyceric_acid 4.02144 66.5612",
"2_3_diphospho_D_glyceric_acid 4.02858 58.5852",
"2_3_diphospho_D_glyceric_acid 4.03373 24.3897",
"2_3_diphospho_D_glyceric_acid 4.04047 22.4084",
"2_3_diphospho_D_glyceric_acid 4.04325 23.3606",
"2_3_diphospho_D_glyceric_acid 4.04999 17.279",
"2_3_diphospho_D_glyceric_acid 4.4853 22.1747",
"2_3_diphospho_D_glyceric_acid 4.49164 44.5942",
"2_3_diphospho_D_glyceric_acid 4.49799 25.3894",
"2_3_diphospho_D_glyceric_acid 4.50076 35.5218",
"2_3_diphospho_D_glyceric_acid 4.51028 44.1328",
"2_3_diphospho_D_glyceric_acid 4.51622 21.4894",
"2_3_diphospho_D_glyceric_acid 4.5186 18.3831",
"2_amino_5_ethyl_1_3_4_thiadiazole 0.000156828 127.55",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.12848 35.0817",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.13681 45.9263",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.14513 64.8014",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.15306 116.661",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.1598 115.19",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.1709 102.384",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.17764 140.963",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.18478 115.727",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.19548 62.2725",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.20262 74.4761",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.20936 48.6332",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.21808 10.5804",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.22482 6.26529",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.27239 64.2389",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.27834 93.7896",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.29737 211.264",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.30371 298.131",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.32076 616.226",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.32671 503.942",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.33107 662.735",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.33741 593.161",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.35208 290.138",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.35724 310.132",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.36992 38.1639",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.38182 93.7426",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.62604 191.929",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.6522 179.805",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.77788 274.143",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.78462 294.731",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.79572 410.836",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.80167 361.596",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.82585 30.7865",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.95311 34.917",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.95787 30.7119",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.97849 465.916",
"2_amino_5_ethyl_1_3_4_thiadiazole 1.99395 300.192",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.10007 55.6859",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.108 92.3526",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.12148 159.122",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.12981 193.855",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.13813 121.311",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.14289 114.087",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.15121 92.128",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.96911 17.9823",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.97823 36.9309",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.99052 57.8175",
"2_amino_5_ethyl_1_3_4_thiadiazole 3.99964 100.939",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.00876 61.2461",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.01232 60.9695",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.01906 70.3493",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.02144 66.5612",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.02858 58.5852",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.03373 24.3897",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.04047 22.4084",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.04325 23.3606",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.04999 17.279",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.4853 22.1747",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.49164 44.5942",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.49799 25.3894",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.50076 35.5218",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.51028 44.1328",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.51622 21.4894",
"2_amino_5_ethyl_1_3_4_thiadiazole 4.5186 18.3831"
), class = "factor")), .Names = "new.col.ppm.p..freq.p.", row.names = c(NA,
30L), class = "data.frame")
dput(head(df2, 30))
structure(list(new.col = structure(c(1L, 1L), .Label = "unknown", class =
"factor"),
ppm.p. = c(7.44687, 4.81412), freq.p. = c(7.1684, 105.11)), .Names =
c("new.col",
"ppm.p.", "freq.p."), row.names = 1:2, class = "data.frame")