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Data Set
Gasoline Samples

This data set contains data on 81 different samples of gasoline, drawn from petrol stations in Germany.
The variables are comprised of integrated NMR ranges and the relative octane number (ROZ). Data set
by courtesy of Reinhard Meusinger.

R. Meusinger, R. Moros
Application of Genetic Algorithms and Neural Networks in Analysis of Multicomponent Mixtures by
NMR-Spectroscopy, in J. Gasteiger (Ed.) Software Development in Chemistry, 10, Gesellschaft Deutscher
Chemiker, Frankfurt (1996) 209

Int. 1          Int. 2          Int. 3          Int. 4          Int.5           Int.6           Int.7           Int.8           Int.9           Int.10          Int.11          Int.12          Int.13          ROZ
5.1             36.0            315.9           77.7            0.6             37.3            10.7            44.9            378.3           90.4            297.8           540.7           1136.8          96.6
5.4             66.7            425.8           64.6            0.8             3.8             5.9             39.6            463.3           65.5            268.2           527.8           1115.8          96.5
3.1             69.6            423.3           56.1            0.6             3.7             4.0             37.6            466.4           56.1            245.8           522.8           1080.3          96.6
4.4             59.4            442.4           75.0            0.5             3.8             6.6             47.6            498.1           72.6            292.8           512.5           1001.2          97.0
2.2             75.7            445.3           59.0            0.6             3.6             2.8             36.3            489.4           55.9            243.8           521.1           1058.4          96.8
5.1             43.8            435.3           84.0            0.2             2.9             8.0             51.9            463.8           76.3            334.6           523.6           1066.6          96.5
4.8             52.0            421.4           70.4            0.4             3.6             7.0             46.7            465.2           68.6            284.8           498.8           988.5           96.6
5.5             73.6            473.0           54.4            0.5             3.2             5.4             44.3            519.1           62.9            235.2           499.2           972.4           96.6
4.4             41.5            412.0           78.0            0.1             3.0             8.3             50.9            440.9           74.0            321.7           504.4           1028.1          96.5
5.7             80.5            474.6           76.7            0.6             3.7             4.5             43.3            531.6           72.7            273.6           508.7           994.0           97.2
3.4             66.4            415.9           77.2            0.5             4.4             4.7             40.9            479.4           76.6            283.4           505.8           1052.5          97.0
8.3             35.1            383.6           50.7            0.3             26.4            8.8             54.3            427.9           58.5            263.1           562.9           1079.9          96.0
9.5             62.1            476.6           31.7            0.1             41.5            12.3            73.6            505.2           47.6            245.1           567.9           828.0           96.6
6.6             26.3            405.9           65.5            0.0             10.4            9.2             55.3            455.7           80.6            286.7           538.9           1083.0          96.6
7.0             23.7            404.8           70.1            0.3             18.6            9.0             53.4            439.0           80.9            291.2           530.1           1040.6          96.8
7.4             20.8            384.8           72.3            0.0             7.5             9.2             51.0            424.1           84.6            296.5           536.3           1116.7          96.6
7.2             72.0            619.0           12.2            0.6             64.7            5.5             60.0            697.5           18.5            102.6           437.7           647.7           98.7
6.7             74.8            530.4           16.3            1.0             76.9            5.9             49.1            579.7           18.8            116.2           436.3           783.5           99.1
6.2             61.4            436.7           23.4            0.7             85.8            6.5             46.7            497.2           31.0            150.7           449.4           920.7           98.9
5.8             74.2            470.3           15.9            2.3             76.2            4.2             43.3            521.0           16.9            124.1           454.5           861.4           98.9
6.9             48.5            501.5           58.0            0.1             9.3             4.2             50.7            579.1           48.1            237.4           403.1           979.4           99.3
6.8             62.7            502.7           23.5            0.2             48.7            12.7            49.5            547.0           23.2            156.6           441.5           890.5           99.1
8.8             54.2            492.6           37.6            0.2             66.2            16.4            54.1            532.5           34.3            182.8           396.9           809.0           99.2
4.3             81.2            506.0           17.5            1.8             65.4            4.0             45.2            572.3           16.9            132.7           478.9           906.2           99.0
8.2             47.2            493.2           54.2            0.1             12.2            5.0             52.3            574.7           46.0            228.5           391.0           944.6           99.4
5.3             73.3            525.6           16.2            0.6             46.0            13.0            45.9            552.6           19.1            150.2           473.2           889.6           98.3
4.4             79.2            483.9           10.4            1.5             53.7            3.1             39.9            531.2           10.9            109.9           466.8           893.7           98.3
6.5             65.8            495.3           28.5            0.3             50.9            15.9            42.4            511.7           28.0            174.7           412.5           855.5           99.4
5.0             48.5            432.3           35.6            0.4             82.1            3.9             41.7            467.3           31.4            173.4           430.4           923.0           99.1
3.3             63.9            436.2           25.9            0.4             114.7           2.8             38.5            452.7           30.2            133.8           442.0           841.5           99.2
10.6            5.1             368.0           20.6            0.2             81.7            10.4            46.5            386.1           35.8            153.4           520.4           1180.4          97.9
9.1             14.7            384.6           22.1            0.3             90.1            9.1             45.8            404.2           35.2            157.7           531.3           1182.1          98.4
6.0             74.5            422.6           76.7            0.0             0.2             5.8             47.9            465.6           98.1            338.6           614.3           964.5           94.9
8.0             22.5            258.2           112.4           0.3             6.1             14.1            48.2            300.6           128.0           400.6           574.9           1223.2          93.8
13.8            23.8            310.0           169.0           1.6             4.7             26.0            71.9            393.6           156.2           492.3           526.2           912.1           95.4
5.9             30.5            201.5           130.1           0.1             22.1            18.4            39.0            251.4           140.8           429.8           588.4           1226.1          94.3
4.1             45.9            312.2           51.8            0.1             2.8             9.0             42.9            360.3           80.1            326.6           600.5           1218.5          93.4
6.2             62.4            366.4           37.7            0.0             4.3             5.4             41.1            398.9           56.4            306.9           659.1           1232.7          93.3
5.5             37.4            344.2           66.1            0.9             2.0             10.9            45.1            409.9           85.6            288.4           630.2           1116.4          93.5
5.4             53.4            341.0           42.1            0.0             4.5             5.2             39.0            375.4           61.4            305.0           616.6           1210.4          93.5
14.1            36.6            298.9           79.9            0.2             0.2             16.9            67.4            394.6           101.8           364.9           659.6           1168.7          93.8
7.0             19.7            242.9           101.3           0.2             3.9             14.9            47.9            292.3           133.2           421.9           573.5           1261.4          94.0
10.2            25.4            303.7           92.6            0.3             4.2             19.2            63.7            369.2           125.6           380.4           606.6           1132.8          94.0
4.3             28.9            246.6           105.1           0.5             12.5            12.3            43.3            303.4           131.2           402.0           591.0           1205.0          94.4
3.3             78.4            412.0           68.6            0.0             0.0             4.3             41.1            445.0           85.6            305.0           612.4           967.9           94.4
4.7             36.5            331.8           65.4            0.6             1.5             9.1             42.3            398.5           87.0            287.1           646.4           1154.0          92.0
7.7             22.7            239.2           100.7           0.2             3.3             12.0            45.4            294.9           124.8           411.5           569.1           1251.3          93.7
8.7             28.8            288.6           98.4            0.4             7.2             17.7            58.6            355.9           127.8           370.1           604.5           1122.8          94.0
5.8             26.7            242.7           50.4            0.0             0.3             8.8             49.4            388.5           85.0            296.9           563.3           1012.4          93.9
5.8             31.0            288.3           79.5            0.1             2.2             11.3            50.8            373.5           115.8           352.9           584.8           1122.5          93.4
6.5             73.3            457.8           61.0            5.4             2.4             7.4             54.1            507.1           78.8            268.9           536.9           926.9           96.6
6.5             59.7            362.4           65.4            0.2             34.3            9.7             45.4            404.5           77.2            301.4           531.0           1135.5          96.5
7.5             55.0            342.3           51.6            0.1             3.2             9.6             44.3            386.9           65.6            281.7           545.1           1297.2          95.6
9.4             36.2            305.7           111.5           0.9             35.8            21.5            40.7            344.4           86.9            320.2           514.4           1201.1          96.7
5.0             61.8            402.0           42.7            0.1             7.0             6.3             48.9            452.4           60.7            263.0           542.3           1143.1          96.2
3.6             53.6            462.0           22.5            0.1             2.3             5.1             44.4            540.7           32.7            160.0           589.5           1044.9          95.1
6.9             61.9            403.9           43.5            0.0             6.6             6.3             49.2            454.8           61.6            256.1           540.3           1136.0          96.2
17.5            86.2            390.8           38.2            0.6             20.1            12.8            85.2            506.7           45.7            205.4           598.3           974.7           96.1
6.0             57.8            456.1           25.6            0.0             1.8             6.1             45.1            524.4           36.7            175.4           598.2           1108.3          95.3
7.3             52.6            327.4           51.9            0.1             3.1             9.0             42.2            365.3           65.2            278.5           542.1           1310.1          95.6
6.1             64.2            330.5           44.8            0.1             5.0             7.9             41.2            373.2           56.6            252.7           514.9           1230.8          95.8
6.8             82.2            468.7           63.0            0.1             0.1             6.3             49.8            515.2           80.0            267.7           494.9           899.0           97.2
6.0             55.5            384.8           45.2            0.2             2.9             8.4             46.4            430.9           59.4            245.4           530.4           1112.4          95.9
9.1             74.1            467.5           77.7            0.1             1.0             6.8             60.1            524.0           76.7            312.8           522.1           879.3           97.1
5.9             61.4            361.6           47.5            0.1             2.4             8.9             45.9            407.6           66.1            275.8           566.4           1273.7          95.4
9.8             54.9            582.5           9.5             33.5            22.1            6.9             62.6            619.3           15.8            123.1           517.8           906.7           99.6
8.1             30.7            502.6           37.9            0.5             66.8            11.7            66.1            538.6           38.6            208.5           443.5           889.3           99.5
8.2             60.3            578.4           10.3            23.1            16.4            6.5             60.1            599.9           15.9            124.9           505.4           914.0           99.4
2.7             57.8            456.0           30.9            0.8             130.6           2.1             38.1            486.3           28.8            138.7           450.3           837.5           99.5
2.6             58.3            461.9           30.8            0.8             131.1           1.2             35.8            490.8           28.0            133.2           452.3           845.3           99.6
3.6             50.0            458.5           16.8            0.9             123.2           3.3             41.5            503.7           23.2            114.4           461.2           842.1           99.1
3.8             59.3            463.2           31.9            0.9             133.8           2.8             40.6            494.4           31.3            147.4           463.5           860.6           99.4
12.6            45.5            415.1           14.4            0.2             102.8           10.1            83.3            510.9           17.5            112.2           529.4           840.2           98.9
6.9             47.8            465.3           14.6            0.5             77.4            5.0             50.1            513.1           18.0            133.3           498.7           1024.6          98.5
6.5             67.3            496.2           32.4            0.3             27.5            5.7             47.7            531.8           36.7            176.2           453.7           1027.2          99.2
9.8             42.7            461.6           17.3            0.5             63.0            6.3             54.0            507.7           21.3            148.0           500.5           1088.3          98.7
5.5             52.6            441.8           38.6            0.4             74.3            7.2             50.9            440.7           51.8            216.5           509.1           939.4           97.9
5.4             48.7            465.0           10.9            0.9             111.2           4.3             47.2            519.9           20.1            105.4           497.6           901.3           98.8
10.5            67.3            512.8           43.0            1.1             96.6            8.2             67.7            571.6           42.4            193.0           421.6           706.9           99.8
7.7             65.0            524.6           23.0            0.1             14.4            5.9             55.1            558.8           28.8            163.1           499.1           1036.0          98.5
6.3             66.2            545.1           26.4            0.4             32.5            6.3             54.0            563.3           31.4            165.0           465.5           966.9           99.3


test_20

3.4             68.3            417.2           64.9            0.8             6.8             4.0             38.5            468.3           61.2            250.9           516.0           1056.5          96.9
4.6             72.0            462.7           72.6            0.6             3.4             4.5             42.7            520.9           71.3            276.0           520.6           1022.3          96.7
5.9             71.3            443.5           105.2           1.1             4.4             8.2             45.7            505.0           98.1            327.8           472.9           952.0           97.5
4.4             67.1            420.4           118.7           1.0             8.8             8.4             45.1            493.3           107.1           348.7           437.1           864.1           97.6
3.6             58.9            376.3           78.6            0.5             6.1             5.5             40.7            437.4           82.6            288.7           510.0           1027.8          96.1
4.4             78.7            509.6           17.9            1.9             59.8            4.4             45.5            565.0           17.7            133.5           489.3           940.4           98.6
3.2             76.0            473.5           13.8            1.9             59.8            3.3             41.7            524.8           13.4            118.1           465.1           901.8           98.5
6.1             33.4            282.8           92.4            0.1             1.5             10.3            42.8            328.9           121.2           386.8           588.2           1216.6          94.6
6.4             36.4            347.8           65.8            0.9             0.7             11.6            48.8            420.5           86.9            290.6           639.5           1124.7          92.4
6.9             20.5            250.7           100.1           0.2             3.8             14.3            49.3            303.1           132.4           421.0           585.5           1260.1          93.8
11.1            40.9            386.3           94.1            0.3             5.5             17.1            60.5            428.9           80.6            317.2           505.7           1087.9          96.8
6.3             65.3            420.4           35.7            0.1             9.5             5.7             48.8            463.6           51.5            252.4           556.3           1103.6          96.2
7.3             66.5            370.7           37.9            0.1             1.8             7.3             41.8            404.2           49.5            259.0           550.0           1300.6          95.6
7.8             45.7            354.0           52.4            0.1             3.0             9.0             42.0            368.8           68.6            294.3           534.7           1306.5          95.6
4.6             57.0            475.4           25.1            0.0             1.4             4.7             43.1            536.5           33.6            162.2           590.9           1050.5          95.0
6.6             54.4            363.3           54.7            0.1             2.7             7.7             42.8            397.5           67.2            289.3           562.0           1341.8          95.5
5.3             66.8            488.9           30.1            0.2             40.2            5.1             47.9            513.2           36.4            175.9           460.3           1065.5          99.2
7.9             81.7            616.7           6.5             0.1             0.0             4.7             58.7            647.2           9.8             96.8            459.7           858.8           99.4
6.6             65.1            504.6           30.3            0.2             44.8            6.1             50.7            525.1           37.4            177.1           446.0           984.8           99.3
7.7             64.3            479.8           34.4            0.3             39.7            7.4             51.6            511.7           40.7            193.1           466.7           1083.3          99.0


test_40

6.3             26.9            312.6           128.3           0.0             3.1             11.2            46.2            384.6           133.9           409.1           662.2           1262.9          93.7
4.2             27.3            352.1           96.2            0.4             0.5             9.4             47.6            413.6           120.6           382.9           664.6           1275.5          93.6
11.5            30.1            368.5           97.9            1.1             0.0             20.3            71.3            437.1           121.3           404.9           671.7           1159.4          93.9
6.1             78.5            431.9           24.3            0.4             15.6            10.3            62.2            448.3           40.3            280.6           774.0           1153.1          92.0
7.3             30.8            377.5           94.8            1.3             1.0             19.4            70.2            443.6           120.1           397.2           678.9           1114.5          94.2
9.8             40.4            334.5           129.3           0.1             2.4             16.0            63.1            433.8           151.9           477.7           601.0           1116.0          94.4
6.6             32.1            351.9           101.4           1.0             1.0             12.5            55.1            435.8           122.8           399.5           669.0           1197.0          93.8
9.2             39.2            339.4           121.9           0.0             4.3             13.1            58.0            426.9           156.2           466.8           621.0           1164.3          94.2
7.7             76.7            401.7           8.6             1.6             36.4            9.9             62.5            426.5           25.8            241.6           798.1           1129.6          91.6
4.7             74.2            372.6           39.8            1.2             23.7            7.7             49.2            395.7           55.5            301.3           708.0           1139.5          92.6
4.6             89.6            390.6           21.5            1.8             28.8            5.9             46.3            392.8           30.0            268.4           730.6           1060.3          92.3
5.2             73.1            400.7           16.7            1.0             22.0            8.5             57.4            416.1           31.5            243.0           764.3           1072.8          91.3
1.5             24.1            296.0           117.8           0.0             3.2             5.9             35.3            353.0           146.5           406.3           576.6           1224.1          94.1
9.6             29.2            354.2           89.7            1.1             0.5             19.3            68.8            421.6           113.3           382.7           646.4           1084.1          93.8
5.2             74.2            373.9           38.9            1.6             26.8            7.8             50.7            396.1           51.3            294.2           710.6           1056.2          93.0
2.6             27.5            296.4           107.1           0.0             4.1             6.1             35.3            352.9           130.4           371.8           585.4           1203.8          94.0
12.7            28.8            390.2           16.7            0.2             31.4            11.8            67.6            451.6           37.3            278.1           747.1           1001.3          92.2
9.1             27.9            388.3           13.8            0.3             50.4            10.4            70.5            432.9           35.6            217.4           828.1           1019.8          92.0
13.3            23.8            355.3           70.8            0.0             1.4             16.0            64.9            414.9           94.3            327.0           769.1           1290.7          92.7
8.4             34.3            365.3           87.9            0.4             3.1             13.1            53.8            411.8           99.0            330.3           679.5           1171.0          92.7
10.2            55.1            457.1           92.7            0.0             14.9            10.8            65.3            548.2           100.7           344.2           493.1           963.4           96.6
7.5             35.5            528.0           49.8            0.1             1.7             18.2            72.0            503.9           70.7            285.3           631.1           948.5           96.2
7.6             37.9            551.9           18.2            0.1             15.3            7.0             67.4            614.0           24.5            179.0           517.2           998.7           98.7
8.2             31.3            661.5           31.3            0.4             79.4            15.8            72.2            593.1           40.9            219.9           521.0           822.3           99.2
9.6             34.6            632.5           35.7            0.5             76.2            15.0            68.4            564.0           36.4            200.5           508.5           815.4           99.1
6.4             45.8            624.6           13.3            4.2             109.4           11.4            55.6            538.7           23.2            188.9           521.9           794.6           98.8
8.5             50.5            558.5           23.3            2.8             83.9            13.8            69.8            561.3           30.2            184.9           528.9           810.5           99.2
11.6            70.4            456.2           54.8            0.1             95.2            5.8             56.5            509.6           54.1            226.0           458.6           1039.4          99.1
13.5            65.8            458.1           57.5            2.1             80.4            8.5             62.4            521.1           60.5            243.9           503.7           1045.7          99.1
5.7             44.1            563.2           5.4             5.2             120.9           17.1            73.6            536.1           18.6            217.7           538.2           735.1           99.1
7.5             54.2            592.2           7.1             7.9             125.4           14.9            68.3            545.7           20.3            211.8           526.1           731.8           99.3
5.2             51.5            585.3           5.5             9.0             126.2           9.1             52.9            515.8           15.6            178.6           505.7           708.7           98.8
8.5             64.5            620.6           6.4             14.8            128.7           13.8            70.8            582.4           21.7            221.2           647.6           863.8           98.5
9.9             25.8            599.0           23.7            1.0             97.6            16.8            74.3            563.0           37.3            193.2           498.2           800.8           99.4
6.6             56.7            561.2           14.5            11.4            117.9           12.8            64.4            529.1           29.1            220.8           577.7           803.1           98.5
5.6             45.0            485.2           25.7            0.6             89.6            7.5             46.7            497.0           22.4            139.5           521.2           1033.9          98.9
6.3             26.8            626.6           10.5            0.8             144.7           9.1             69.4            619.0           25.0            143.3           561.3           743.7           98.8
5.7             24.9            577.8           9.6             0.9             136.0           7.7             62.9            573.1           22.8            134.2           546.4           735.6           98.8
8.0             14.6            504.9           26.1            0.2             77.5            10.8            55.9            490.6           32.4            161.3           585.4           1182.9          98.3
4.8             46.6            500.5           17.6            0.6             2.5             4.3             54.0            593.8           15.0            141.5           503.1           1094.4          98.3


Last Update: 2005-Jän-25