R/ChromBackendSpectra.R
ChromBackendSpectra.RdThe ChromBackendSpectra class extends ChromBackendMemory, inheriting
all its slots and methods while providing additional functionality for
summarizing chromatographic data from Spectra::Spectra() objects.
It can be initialized with a Spectra object, which is stored in the
spectra slot of the backend. Users can also provide a data.frame
containing chromatographic metadata, stored in chromData. This metadata
filters the Spectra object and generates peaksData. If chromData is
not provided, a default data.frame is created from the Spectra data.
An "rtmin", "rtmax", "mzmin", and "mzmax" column will be created by
condensing the Spectra data corresponding to each unique combination of
the factorize.by variables.
The dataOrigin core chromatogram variable should reflect the dataOrigin
of the Spectra object. The factorize.by parameter defines the variables
for grouping Spectra data into chromatographic data. The default is
c("msLevel", "dataOrigin"), which will define separate chromatograms for
each combination of msLevel and dataOrigin. These variables must be in
both Spectra and chromData (if provided).
The summarize.method parameter defines how spectral data intensity is
summarized:
"sum": Sums intensity to create a Total Ion Chromatogram (TIC).
"max": Takes max intensity for a Base Peak Chromatogram (BPC).
If chromData or its factorization columns are modified, the factorize()
method must be called to update chromSpectraIndex.
ChromBackendSpectra()
# S4 method for class 'ChromBackendSpectra'
backendInitialize(
object,
spectra = Spectra::Spectra(),
factorize.by = c("msLevel", "dataOrigin"),
summarize.method = c("sum", "max"),
chromData = fillCoreChromVariables(),
...
)
chromSpectraIndex(object)A ChromBackendSpectra object.
A Spectra object.
A character vector of variables for grouping Spectra
data into chromatographic data.
Default: c("msLevel", "dataOrigin").
If chromData is provided, it must contain these columns.
A character string specifying intensity summary:
"sum" (default) or "max".
A data.frame with chromatographic data for use in
backendInitialize(). If missing, a default is generated. Columns
like rtmin, rtmax, mzmin, and mzmax must be provided and not
contain NA values. Use -Inf/Inf for unspecified values. The
"dataOrigin" column must match the Spectra object's
"dataOrigin".
Additional parameters.
No peaksData is stored until the user calls a function that generates it
(e.g., rtime(), peaksData(), intensity()). The peaksData slot
replacement is unsupported — modifications are temporary to optimize memory.
The inMemory slot indicates this with TRUE.
ChromBackendSpectra should reuse ChromBackendMemory methods whenever
possible to keep implementations simple.
ensure that it returns a factor
library(Spectra)
#> Loading required package: S4Vectors
#> Loading required package: stats4
#> Loading required package: BiocGenerics
#> Loading required package: generics
#>
#> Attaching package: ‘generics’
#> The following objects are masked from ‘package:base’:
#>
#> as.difftime, as.factor, as.ordered, intersect, is.element, setdiff,
#> setequal, union
#>
#> Attaching package: ‘BiocGenerics’
#> The following objects are masked from ‘package:stats’:
#>
#> IQR, mad, sd, var, xtabs
#> The following objects are masked from ‘package:base’:
#>
#> Filter, Find, Map, Position, Reduce, anyDuplicated, aperm, append,
#> as.data.frame, basename, cbind, colnames, dirname, do.call,
#> duplicated, eval, evalq, get, grep, grepl, is.unsorted, lapply,
#> mapply, match, mget, order, paste, pmax, pmax.int, pmin, pmin.int,
#> rank, rbind, rownames, sapply, saveRDS, table, tapply, unique,
#> unsplit, which.max, which.min
#>
#> Attaching package: ‘S4Vectors’
#> The following object is masked from ‘package:utils’:
#>
#> findMatches
#> The following objects are masked from ‘package:base’:
#>
#> I, expand.grid, unname
#>
#> Attaching package: ‘Spectra’
#> The following object is masked from ‘package:Chromatograms’:
#>
#> reset
library(MsBackendMetaboLights)
## Get Spectra data from MetaboLights
be <- backendInitialize(MsBackendMetaboLights(),
mtblsId = "MTBLS39",
filePattern = c("63B.cdf")
)
#> Used data files from the assay's column "Raw Spectral Data File" since none were available in column "Derived Spectral Data File".
s <- Spectra(be)
## Initialize ChromBackendSpectra
be_empty <- new("ChromBackendSpectra")
be <- backendInitialize(be_empty, s)
## replace the msLevel data
msLevel(be) <- c(1L, 2L, 3L)
#> Please keep in mind the 'ChromBackendSpectra' backend is read-only. The chromData slot will be modified but the changes will not affect the Spectra object. You will need to run `factorize()` to update the 'chromSpectraIndex' column.
## re-factorize the data
be <- factorize(be)
## Create BPC : we summarize the intensity present in the Spectra object
## by the maximum value, thus creating a Base Peak Chromatogram.
be <- backendInitialize(be_empty, s, summarize.method = "max")
## Can now see the details of this bpc by looking at the chromData of our
## object
chromData(be)
#> msLevel rtmin rtmax mzMin mzMax mz polarity
#> 1 1 0.296192 2695.833 -Inf Inf Inf -1
#> 2 1 0.295936 2697.736 -Inf Inf Inf -1
#> 3 1 3.660864 2698.993 -Inf Inf Inf -1
#> dataOrigin
#> 1 /github/home/.cache/R/BiocFileCache/AM063B.cdf
#> 2 /github/home/.cache/R/BiocFileCache/CS063B.cdf
#> 3 /github/home/.cache/R/BiocFileCache/MN063B.cdf
#> chromSpectraIndex chromIndex collisionEnergy
#> 1 1_/github/home/.cache/R/BiocFileCache/AM063B.cdf 1 NA
#> 2 1_/github/home/.cache/R/BiocFileCache/CS063B.cdf 2 NA
#> 3 1_/github/home/.cache/R/BiocFileCache/MN063B.cdf 3 NA
#> precursorMz precursorMzMin precursorMzMax productMz productMzMin productMzMax
#> 1 NA NA NA NA NA NA
#> 2 NA NA NA NA NA NA
#> 3 NA NA NA NA NA NA
## Another possibilities is to create eics from the Spectra object.
## Here we create an EIC with a specific m/z and retention time window.
df <- data.frame(mzmin = 100.01, mzmax = 100.02 , rtmin = 50, rtmax = 100)
be <- backendInitialize(be_empty, s, summarize.method = "sum")
chromData(be) <- cbind(chromData(be), df)
#> Please keep in mind the 'ChromBackendSpectra' backend is read-only. The chromData slot will be modified but the changes will not affect the Spectra object. You will need to run `factorize()` to update the 'chromSpectraIndex' column.
## now when we call the peaksData function, we will get the intensity
## of the spectra object that are in the m/z and retention time window
## defined in the chromData.
peaksData(be)
#> [[1]]
#> rtime intensity
#> 1 0.296192 30360.34
#> 2 6.195200 31987.51
#> 3 12.064960 29799.62
#> 4 17.966720 30340.36
#> 5 23.828864 29311.18
#> 6 29.704960 29652.89
#> 7 35.582848 29766.87
#> 8 41.444736 30578.23
#> 9 47.290688 29960.14
#> 10 53.146816 28774.21
#> 11 58.994752 29589.01
#> 12 64.882560 30948.68
#> 13 70.766336 30950.94
#> 14 76.644160 30605.69
#> 15 82.478080 30008.49
#> 16 88.318272 30009.77
#> 17 94.202560 30647.52
#> 18 100.074368 30129.05
#> 19 105.960320 30153.38
#> 20 111.822528 31059.49
#> 21 117.682176 30620.76
#> 22 123.480128 36482.01
#> 23 128.802624 222100.37
#> 24 133.473856 688834.19
#> 25 137.584448 971540.01
#> 26 141.710976 956108.32
#> 27 145.878336 839189.47
#> 28 150.031616 759789.46
#> 29 154.198016 876450.28
#> 30 158.358720 1011332.66
#> 31 162.483072 1044635.20
#> 32 166.643648 1039582.92
#> 33 170.806080 979659.65
#> 34 174.948096 904107.69
#> 35 179.124224 833332.26
#> 36 183.335168 668250.96
#> 37 187.540096 551291.45
#> 38 191.809216 435746.81
#> 39 196.109696 344413.73
#> 40 200.418688 283672.37
#> 41 204.763520 240485.01
#> 42 209.126912 220168.52
#> 43 213.506560 206024.20
#> 44 217.893504 199993.81
#> 45 222.266560 195714.69
#> 46 226.668224 196889.42
#> 47 231.028352 201073.82
#> 48 235.408640 213153.71
#> 49 239.775808 221417.68
#> 50 244.097920 220917.06
#> 51 248.457280 224704.87
#> 52 252.832192 242836.63
#> 53 257.183872 252394.28
#> 54 261.556928 261487.87
#> 55 265.891328 256380.39
#> 56 270.253248 266472.74
#> 57 274.645696 258453.41
#> 58 279.042240 245335.90
#> 59 283.490560 227658.31
#> 60 287.890112 239763.07
#> 61 292.230336 332453.76
#> 62 296.513664 422230.96
#> 63 300.733888 492924.57
#> 64 304.979712 505369.47
#> 65 309.227520 510875.81
#> 66 313.462272 511342.45
#> 67 317.706688 520132.84
#> 68 321.966784 552673.46
#> 69 326.214080 570973.27
#> 70 330.460736 548095.26
#> 71 334.686976 501242.60
#> 72 338.958464 436004.47
#> 73 343.245248 388533.44
#> 74 347.551296 333392.57
#> 75 351.931776 281338.94
#> 76 356.356928 236364.04
#> 77 360.828096 191468.96
#> 78 365.442496 152737.84
#> 79 370.056256 131332.69
#> 80 374.767168 113620.81
#> 81 379.500736 104863.34
#> 82 384.296576 95631.89
#> 83 389.071680 91042.62
#> 84 393.910656 91409.82
#> 85 398.654720 97696.88
#> 86 403.379328 98815.16
#> 87 408.100096 97598.44
#> 88 412.849664 96996.69
#> 89 417.619008 93436.00
#> 90 422.440064 92314.49
#> 91 427.294016 89806.90
#> 92 432.137792 88945.44
#> 93 436.988544 86354.81
#> 94 441.809536 94686.14
#> 95 446.624896 96717.85
#> 96 451.438336 94759.20
#> 97 456.292032 94509.35
#> 98 461.093888 96046.39
#> 99 465.911232 100077.85
#> 100 470.644864 107069.35
#> 101 475.378368 110390.71
#> 102 480.063872 118316.82
#> 103 484.777792 121043.96
#> 104 489.459904 123826.29
#> 105 494.173696 118651.90
#> 106 498.861760 118376.09
#> 107 503.577152 119233.56
#> 108 508.269440 120349.11
#> 109 512.995008 115246.83
#> 110 517.736448 106353.55
#> 111 522.567360 96481.13
#> 112 527.413760 90212.10
#> 113 532.333824 83610.88
#> 114 537.291776 78815.33
#> 115 542.289856 71762.48
#> 116 547.336960 70598.69
#> 117 552.320768 69766.48
#> 118 557.345344 67403.57
#> 119 562.348480 65967.64
#> 120 567.369984 62600.18
#> 121 572.457088 61745.27
#> 122 577.527360 59603.50
#> 123 582.657408 56082.44
#> 124 587.847168 53610.79
#> 125 593.019456 53760.69
#> 126 598.183296 52473.53
#> 127 603.329408 54639.22
#> 128 608.443072 55891.05
#> 129 613.555072 55062.24
#> 130 618.596992 59623.18
#> 131 623.674624 59697.86
#> 132 628.797568 58954.22
#> 133 633.838272 63188.91
#> 134 638.875648 65002.90
#> 135 643.814336 69145.83
#> 136 648.777920 71580.73
#> 137 653.706496 74913.37
#> 138 658.598656 78510.85
#> 139 663.522688 82318.05
#> 140 668.365888 82551.84
#> 141 673.210048 85705.81
#> 142 678.053376 85455.64
#> 143 682.936576 81470.25
#> 144 687.832768 85282.35
#> 145 692.684480 89828.83
#> 146 697.507008 93287.83
#> 147 702.301888 94535.90
#> 148 707.104960 94970.70
#> 149 711.891840 96463.55
#> 150 716.724160 94340.63
#> 151 721.515456 95439.87
#> 152 726.289216 106277.11
#> 153 730.911232 122559.37
#> 154 735.468352 145943.00
#> 155 739.937792 166197.92
#> 156 744.378176 189759.50
#> 157 748.808960 209995.04
#> 158 753.194752 215009.91
#> 159 757.592192 233263.87
#> 160 761.971136 236090.90
#> 161 766.339328 243688.71
#> 162 770.760960 216306.01
#> 163 775.216960 185552.40
#> 164 779.771072 162308.84
#> 165 784.355200 146846.64
#> 166 789.002368 133857.68
#> 167 793.684864 124450.39
#> 168 798.392832 116767.95
#> 169 803.135104 113442.87
#> 170 807.886080 108957.80
#> 171 812.641280 106527.07
#> 172 817.379584 107631.19
#> 173 822.110016 116366.56
#> 174 826.841664 113201.29
#> 175 831.572224 118963.41
#> 176 836.268736 127917.80
#> 177 840.926272 131353.95
#> 178 845.580544 135252.47
#> 179 850.164928 146298.00
#> 180 854.635008 192447.34
#> 181 858.999872 260827.57
#> 182 863.264192 321581.14
#> 183 867.539520 370770.73
#> 184 871.813696 349936.67
#> 185 876.108032 294436.50
#> 186 880.512832 231991.97
#> 187 884.978112 186280.12
#> 188 889.540480 157089.21
#> 189 894.204928 132505.73
#> 190 898.957440 116660.99
#> 191 903.750208 107788.84
#> 192 908.588864 101021.13
#> 193 913.446016 97800.81
#> 194 918.300992 102978.61
#> 195 922.952256 127745.26
#> 196 927.442304 188394.66
#> 197 931.767872 260117.64
#> 198 936.046976 340604.32
#> 199 940.290624 358533.60
#> 200 944.543232 336077.03
#> 201 948.887040 277242.27
#> 202 953.335232 217200.67
#> 203 957.847488 168253.29
#> 204 962.507136 140789.81
#> 205 967.159360 128257.30
#> 206 971.881728 115171.61
#> 207 976.634752 103188.18
#> 208 981.488768 98175.15
#> 209 986.302464 102043.96
#> 210 991.026112 114109.96
#> 211 995.661824 128435.48
#> 212 1000.284672 127953.18
#> 213 1004.868416 137429.82
#> 214 1009.409856 153326.05
#> 215 1013.814400 206864.54
#> 216 1018.555520 362867.28
#> 217 1022.979264 575597.65
#> 218 1027.141888 684520.83
#> 219 1031.302976 730435.97
#> 220 1035.462464 624362.14
#> 221 1039.675392 517777.14
#> 222 1043.973120 407505.06
#> 223 1048.328704 290323.34
#> 224 1052.774528 234989.20
#> 225 1057.226368 225201.75
#> 226 1061.620672 240722.26
#> 227 1065.918016 332313.53
#> 228 1070.108608 517978.64
#> 229 1074.507712 732430.33
#> 230 1078.885952 926731.72
#> 231 1082.994752 994616.22
#> 232 1087.146432 908199.75
#> 233 1091.321216 739446.05
#> 234 1095.502144 575088.93
#> 235 1099.762688 445203.15
#> 236 1104.090624 350595.03
#> 237 1108.465536 271812.61
#> 238 1112.979712 203197.37
#> 239 1117.568960 163833.66
#> 240 1122.315776 127398.95
#> 241 1127.153536 106236.16
#> 242 1132.057856 95152.26
#> 243 1136.911744 90187.64
#> 244 1141.836544 87571.53
#> 245 1146.756672 84172.46
#> 246 1151.741952 81111.49
#> 247 1156.719232 80040.83
#> 248 1161.544384 107370.93
#> 249 1166.330560 224611.17
#> 250 1170.687232 367983.90
#> 251 1175.004352 428962.73
#> 252 1179.352192 375034.82
#> 253 1183.737024 310060.06
#> 254 1188.134016 354974.78
#> 255 1192.447232 418547.53
#> 256 1196.710912 447069.12
#> 257 1200.977280 472525.73
#> 258 1205.230912 481841.35
#> 259 1209.495296 493100.36
#> 260 1213.779328 406758.15
#> 261 1218.136640 311575.61
#> 262 1222.607872 263433.76
#> 263 1227.109056 226467.08
#> 264 1231.640448 204146.08
#> 265 1236.210240 169384.06
#> 266 1240.855488 137598.58
#> 267 1245.618688 116809.26
#> 268 1250.404672 103410.60
#> 269 1255.266048 93191.13
#> 270 1260.223680 83620.31
#> 271 1265.240000 78707.50
#> 272 1270.346880 71445.97
#> 273 1275.424896 70748.66
#> 274 1280.513600 68396.07
#> 275 1285.619648 66961.18
#> 276 1290.726592 67662.05
#> 277 1295.828800 67178.65
#> 278 1300.897792 66180.76
#> 279 1305.993984 63297.52
#> 280 1311.009856 72541.55
#> 281 1315.867584 85647.39
#> 282 1320.687488 91067.89
#> 283 1325.445120 99014.39
#> 284 1330.256512 104645.39
#> 285 1335.029760 104754.62
#> 286 1339.853504 92608.81
#> 287 1344.746304 88979.11
#> 288 1349.720064 81291.10
#> 289 1354.723264 75711.99
#> 290 1359.744192 76587.92
#> 291 1364.771712 75672.48
#> 292 1369.734528 77720.50
#> 293 1374.595584 100785.40
#> 294 1379.287744 137561.18
#> 295 1383.875200 186193.94
#> 296 1388.373632 188611.79
#> 297 1392.905088 216783.05
#> 298 1397.367872 205586.09
#> 299 1401.918592 170369.81
#> 300 1406.608256 141006.05
#> 301 1411.360768 118621.71
#> 302 1416.140544 108963.46
#> 303 1420.948864 104001.91
#> 304 1425.782528 93453.38
#> 305 1430.760896 82475.58
#> 306 1435.775232 77352.82
#> 307 1440.818112 72352.85
#> 308 1445.919040 69948.73
#> 309 1451.035328 70207.09
#> 310 1456.016832 83612.53
#> 311 1460.800704 106663.22
#> 312 1465.414528 175652.76
#> 313 1470.045632 351388.30
#> 314 1474.378112 504688.97
#> 315 1478.645056 537765.63
#> 316 1482.929152 477621.52
#> 317 1487.255808 371414.89
#> 318 1491.659328 269015.34
#> 319 1496.203776 211908.65
#> 320 1500.768896 161080.75
#> 321 1505.330880 166539.24
#> 322 1509.831552 186528.45
#> 323 1514.360576 182311.99
#> 324 1518.915648 161533.24
#> 325 1523.512768 143681.90
#> 326 1528.224064 123789.99
#> 327 1532.965696 105696.80
#> 328 1537.820352 96644.61
#> 329 1542.667200 87871.54
#> 330 1547.549056 84636.51
#> 331 1552.500672 78994.01
#> 332 1557.515072 75711.75
#> 333 1562.541376 81441.93
#> 334 1567.371328 98699.01
#> 335 1572.176960 98610.73
#> 336 1577.029824 92366.64
#> 337 1582.025984 83919.25
#> 338 1587.135552 73787.43
#> 339 1592.337600 65538.18
#> 340 1597.633600 59765.21
#> 341 1602.911680 58472.84
#> 342 1608.187520 56595.95
#> 343 1613.455424 56904.63
#> 344 1618.659200 57747.14
#> 345 1623.867328 57897.07
#> 346 1629.155200 53783.89
#> 347 1634.566400 50909.06
#> 348 1639.963520 49425.24
#> 349 1645.343168 53959.65
#> 350 1650.370176 82400.40
#> 351 1654.986240 119115.35
#> 352 1659.547456 131508.32
#> 353 1664.169728 115687.69
#> 354 1668.958592 101399.88
#> 355 1673.849152 88483.01
#> 356 1678.856704 76297.70
#> 357 1683.996672 64774.21
#> 358 1689.300800 55672.91
#> 359 1694.732864 50739.87
#> 360 1700.186752 47983.40
#> 361 1705.566528 54945.94
#> 362 1710.677184 66119.84
#> 363 1715.496768 81601.30
#> 364 1720.313088 77187.06
#> 365 1725.295616 72575.39
#> 366 1730.386112 68145.93
#> 367 1735.562304 63608.05
#> 368 1740.677760 63831.35
#> 369 1745.770240 65516.85
#> 370 1750.950208 60456.55
#> 371 1756.238080 54647.93
#> 372 1761.640384 50354.49
#> 373 1767.126272 45482.65
#> 374 1772.642496 43529.79
#> 375 1778.178368 44423.97
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#> 379 1799.864256 46843.22
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#> 382 1816.075968 47676.05
#> 383 1821.482176 47787.85
#> 384 1826.913792 47308.19
#> 385 1832.356288 48321.79
#> 386 1837.741760 49130.56
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#> 389 1853.987904 47217.77
#> 390 1859.427456 46168.20
#> 391 1864.717312 55505.76
#> 392 1869.597568 84691.69
#> 393 1874.375168 131942.18
#> 394 1878.782208 191554.91
#> 395 1883.157056 191530.86
#> 396 1887.586112 165750.24
#> 397 1892.171840 140090.68
#> 398 1896.826048 121327.45
#> 399 1901.565440 112687.77
#> 400 1906.310464 108868.94
#> 401 1911.069568 110996.84
#> 402 1915.689600 129269.27
#> 403 1920.264960 149105.14
#> 404 1924.795904 154312.05
#> 405 1929.353792 135474.89
#> 406 1934.029056 117523.45
#> 407 1938.803136 101498.90
#> 408 1943.673984 88664.15
#> 409 1948.706112 76074.56
#> 410 1953.832640 64211.80
#> 411 1959.140800 54668.29
#> 412 1964.634688 48214.45
#> 413 1970.226880 43873.02
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#> 419 2004.260544 38751.70
#> 420 2009.914368 39357.24
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#>
#> [[2]]
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#> 415 1966.749248 62556.77
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#>
#> [[3]]
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#> 419 2026.766528 39802.82
#> 420 2032.364416 41553.96
#> 421 2037.889984 41984.79
#> 422 2043.394432 42674.63
#> 423 2048.780160 42280.73
#> 424 2054.156160 43683.66
#> 425 2059.525952 45884.53
#> 426 2064.901888 46255.69
#> 427 2070.250048 48196.24
#> 428 2075.499840 52824.40
#> 429 2080.667520 55701.07
#> 430 2085.843648 56953.56
#> 431 2091.065728 58653.93
#> 432 2096.295680 57909.33
#> 433 2101.563520 53836.83
#> 434 2106.913856 53803.05
#> 435 2112.303552 53061.54
#> 436 2117.655488 51119.48
#> 437 2123.001664 49673.19
#> 438 2128.401536 50866.91
#> 439 2133.789696 49543.61
#> 440 2139.199744 46327.85
#> 441 2144.597568 50083.54
#> 442 2149.977344 48566.59
#> 443 2155.339904 49612.89
#> 444 2160.673472 51334.26
#> 445 2165.963328 52631.63
#> 446 2171.185024 58052.35
#> 447 2176.326912 57872.89
#> 448 2181.537152 59269.31
#> 449 2186.721088 59294.38
#> 450 2191.921152 59824.56
#> 451 2197.168832 56013.63
#> 452 2202.448960 55429.93
#> 453 2207.704896 54326.18
#> 454 2213.013184 53780.77
#> 455 2218.282688 53959.11
#> 456 2223.607104 53338.91
#> 457 2228.956736 51465.30
#> 458 2234.353088 48113.32
#> 459 2239.734976 48998.44
#> 460 2245.078784 51544.33
#> 461 2250.402880 51855.24
#> 462 2255.678720 53517.06
#> 463 2260.910528 56701.53
#> 464 2266.052608 61549.08
#> 465 2271.104576 64751.36
#> 466 2276.212288 60576.05
#> 467 2281.462464 57586.75
#> 468 2286.736640 53824.03
#> 469 2292.052544 53633.42
#> 470 2297.382464 53827.93
#> 471 2302.672384 51146.82
#> 472 2308.042112 50045.59
#> 473 2313.460160 48223.01
#> 474 2318.864576 48136.28
#> 475 2324.234240 48382.84
#> 476 2329.614208 49025.15
#> 477 2335.008192 47647.04
#> 478 2340.380096 48420.28
#> 479 2345.713920 49109.25
#> 480 2351.123904 49113.98
#> 481 2356.486208 48629.46
#> 482 2361.839936 50192.56
#> 483 2367.173888 50917.32
#> 484 2372.549632 50875.61
#> 485 2377.865984 50236.55
#> 486 2383.201984 51605.79
#> 487 2388.545600 49659.57
#> 488 2393.873280 50375.32
#> 489 2399.221760 48904.91
#> 490 2404.609792 49640.92
#> 491 2409.951872 50876.49
#> 492 2415.249536 51973.13
#> 493 2420.561536 52518.55
#> 494 2425.838400 52670.33
#> 495 2431.067456 54755.41
#> 496 2436.263424 57481.45
#> 497 2441.431552 59280.31
#> 498 2446.569152 61695.29
#> 499 2451.675648 63589.96
#> 500 2456.763200 65969.52
#> 501 2461.866752 64545.25
#> 502 2466.994240 66188.26
#> 503 2472.055744 65987.34
#> 504 2477.135040 64439.42
#> 505 2482.234304 64558.88
#> 506 2487.284160 68127.06
#> 507 2492.304640 74201.22
#> 508 2497.270400 72559.68
#> 509 2502.285568 70325.57
#> 510 2507.288960 75465.27
#> 511 2512.226752 76877.52
#> 512 2517.211968 78495.28
#> 513 2522.157568 76341.78
#> 514 2527.193024 71782.06
#> 515 2532.219520 69855.14
#> 516 2537.258816 70942.81
#> 517 2542.292224 72988.02
#> 518 2547.242112 78483.63
#> 519 2552.132544 84096.23
#> 520 2556.910912 97727.27
#> 521 2561.682304 88240.65
#> 522 2566.507712 85610.78
#> 523 2571.380992 87045.17
#> 524 2576.256896 88827.44
#> 525 2581.099968 89448.52
#> 526 2585.945920 87493.24
#> 527 2590.793792 93197.93
#> 528 2595.486208 116162.53
#> 529 2600.101504 111747.28
#> 530 2604.850560 102755.14
#> 531 2609.658880 104397.55
#> 532 2614.436992 105277.42
#> 533 2619.196032 102747.93
#> 534 2623.947712 102507.18
#> 535 2628.721728 101306.60
#> 536 2633.503360 97588.29
#> 537 2638.261568 96801.49
#> 538 2643.053696 91817.66
#> 539 2647.770368 95570.80
#> 540 2652.392768 121175.50
#> 541 2656.907456 130090.68
#> 542 2661.485952 122954.47
#> 543 2666.186432 109676.13
#> 544 2670.950080 105662.69
#> 545 2675.669824 104045.63
#> 546 2680.356224 113485.65
#> 547 2684.980608 117417.01
#> 548 2689.625152 116220.74
#> 549 2694.281152 114280.44
#> 550 2698.993408 109010.27
#>