File name: Pandora69s1_NewBrunswickNJ_20210603_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T180236.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20210603_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20210603 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20210603T190024.8Z 7824.791953 460 1 49.76 2 31.83 244.90 101.83 273.60 0.00 1 0.00 1 0 17 7.843e-03 5.739e-03 4.290e-03 2.178e-03 1.766986e-01 1.141629e-03 2.126074e-03 -6.000000e+00 4.657077e-03 232.24 -2.00 3.50 -2.00 316.20 0.00e+00 3.265410e-04 1.112261e-04 2.480584e-05 -6.000000e+00 1.828850e-04 285.76 -2.00 20.00 -2.00 315.89 0.00e+00 1.176 0.000 302.00 328.00 3 4.8293e+00 2.9957e-03 1.5045e-02 -6.0000e+00 1.1784e-02 6.0440e-02 3.3166e-03 9.1842e-03 -6.0000e+00 1.2760e-02 -3.5404e-03 1.9171e-03 4.4902e-03 -6.0000e+00 7.4723e-03 -2.8301e-03 8.7803e-04 1.2578e-03 -6.0000e+00 3.1236e-03 1.0710e-03 1.1554e-04 6.5257e-05 1.6001e-05 -6.0000e+00 2.2194e-04 -2.1768e-03 -8.2348e-06 10 0 0 10 0 0 99.99 22.76 0.30 -0.00218 -0.00131 58 12 1 5 0 857.800 25.90 19.98 22.76 34.06 7.0 1083.34 -1155 -2026 -1550 -1583 -869 441 793 654 100 -145 -45 -519 -1129 271 1002 -861 806 -99 1392 619 1313 1436 1669 383 234 762 476 725 536 1339 545 1425 391 -1382 -731 -1646 -1972 -993 -51 -1755 -1048 -799 -1000 -747 -629 -296 -857 -614 -1138 533 -459 544 1282 1031 604 703 638 410 775 746 1199 1210 1277 656 -181 -11 -658 377 383 106 -13 210 265 371 66 -22 -374 -411 -219 -1227 -665 -2134 -1738 -884 -459 -401 45 619 411 338 222 -143 265 318 335 616 1330 352 114 -295 -128 -693 185 53 -1035 -523 -697 -302 -7 291 140 -24 -87 -338 93 96 197 128 315 -513 68 158 64 87 675 -13 650 877 -235 92 -228 238 103 441 -187 -26 411 -181 -48 -152 -193 -601 -259 -477 -356 -326 -162 81 157 142 24 -35 -10 -127 -307 81 326 -300 281 -36 509 233 491 534 642 155 98 322 196 275 191 477 204 555 162 -566 -279 -655 -877 -505 -30 -1175 -733 -573 -730 -543 -455 -211 -594 -410 -745 348 -318 391 954 797 475 560 511 326 607 591 988 1061 1185 625 -165 -9 -526 297 327 99 -13 214 266 358 59 -18 -281 -303 -172 -1067 -629 -2191 -1856 -983 -543 -498 58 808 532 415 253 -151 259 309 345 688 1608 459 151 -377 -155 -796 208 63 -1326 -693 -962 -430 -10 446 220 -37 -128 -464 118 118 246 168 439 -752 101 230 91 118 872 -16 781 1076 -306 124 -317 335 147 653 -293 -41 672 -303 -79 -246 -306 -936 SS 20210603T193605.6Z 7824.816731 481 1 8.35 2 38.18 254.10 108.26 279.53 0.00 1 0.00 1 0 17 9.997e-03 6.986e-03 6.102e-03 3.864e-03 1.849679e-01 2.043639e-03 2.224866e-03 -6.000000e+00 5.938314e-03 232.24 -2.00 3.50 -2.00 315.28 0.00e+00 2.927087e-04 1.658510e-04 2.031594e-05 -6.000000e+00 2.331734e-04 285.76 -2.00 20.00 -2.00 315.00 0.00e+00 1.271 0.000 302.00 328.00 3 4.6687e+00 5.3188e-03 1.6035e-02 -6.0000e+00 1.5026e-02 4.8476e-02 5.8754e-03 9.5864e-03 -6.0000e+00 1.6269e-02 4.5574e-07 3.3556e-03 4.6765e-03 -6.0000e+00 9.5266e-03 -2.1366e-03 1.4879e-03 1.3017e-03 -6.0000e+00 3.9841e-03 1.1297e-03 3.7835e-04 1.1312e-04 1.7437e-05 -6.0000e+00 2.8286e-04 -4.5300e-03 1.4324e-05 12 9 1 12 1 1 999.00 22.78 0.32 -0.00453 -0.00169 2 4 1 5 0 2723.730 25.90 19.98 22.78 34.59 7.0 1086.43 -3006 379 -3390 -1457 -392 -333 416 -48 483 -947 231 -1557 -1284 382 -919 1135 -1056 2396 1832 1693 258 2355 1567 66 864 1862 265 1484 346 732 1056 1810 367 -1279 -2990 -1611 -2579 -39 -2045 -869 -1017 -1766 -839 -1017 3 -968 332 -835 -565 468 981 55 1395 1009 78 1258 -355 1719 415 432 1665 456 1462 16 -348 -6 -345 -146 1425 360 396 422 61 637 -413 587 -945 -251 -277 -1310 -799 -1776 -1129 -978 -74 -343 -207 -21 64 -67 566 -128 68 575 768 459 -205 527 -332 232 -438 -687 285 -219 -802 -99 -879 -1017 371 226 188 223 -472 159 -292 290 -222 526 436 -64 134 764 -244 299 889 -318 1319 722 -140 235 -90 178 39 714 -124 -320 -7 -50 -156 -360 -449 -519 -908 116 -1051 -405 -99 -85 112 -14 152 -304 72 -513 -459 147 -389 494 -475 1073 843 795 123 1097 756 33 444 965 136 708 158 336 502 891 190 -659 -1483 -812 -1426 -24 -1424 -653 -795 -1416 -678 -821 2 -771 257 -635 -421 351 760 44 1152 859 68 1092 -313 1483 358 376 1484 429 1426 16 -337 -5 -303 -128 1307 357 410 443 64 643 -397 523 -802 -209 -241 -1233 -801 -1882 -1229 -1101 -86 -417 -259 -26 80 -81 647 -139 70 589 819 521 -248 668 -426 290 -529 -796 326 -260 -1003 -126 -1162 -1378 512 321 271 319 -655 209 -366 355 -275 671 581 -88 186 1049 -330 392 1125 -393 1582 883 -178 307 -120 241 53 997 -179 -475 -10 -76 -237 -538 -660 -751 SS 20210603T194513.0Z 7824.823067 484 1 3.00 2 39.86 256.13 109.89 281.09 0.00 1 0.00 1 0 17 9.869e-03 8.153e-03 7.488e-03 4.976e-03 1.942793e-01 2.642116e-03 2.373567e-03 -6.000000e+00 5.862525e-03 232.24 -2.00 3.50 -2.00 315.08 0.00e+00 9.099918e-05 2.054869e-04 1.884687e-05 -6.000000e+00 2.301927e-04 285.77 -2.00 20.00 -2.00 314.80 0.00e+00 1.301 0.000 302.00 328.00 3 3.8974e+00 6.8622e-03 1.6629e-02 -6.0000e+00 1.4834e-02 5.4093e-02 7.5755e-03 1.0147e-02 -6.0000e+00 1.6061e-02 -9.7326e-03 4.3219e-03 4.9590e-03 -6.0000e+00 9.4046e-03 -2.0103e-03 1.9014e-03 1.3800e-03 -6.0000e+00 3.9335e-03 2.3341e-03 4.3529e-04 1.4535e-04 1.9164e-05 -6.0000e+00 2.7920e-04 -4.8020e-03 3.6174e-05 12 9 1 12 1 1 999.00 22.79 0.24 -0.00480 -0.00153 1 7 1 5 0 1411.310 25.90 20.01 22.79 35.02 7.0 1089.39 1569 -2772 -2406 1285 -274 -919 -1220 1267 -654 2306 -1291 559 -751 -602 -236 -1417 1304 -608 1843 1032 865 579 441 854 710 776 80 -376 355 2590 916 633 -533 -1453 518 -1787 -1437 -1092 -356 -1567 -1335 -848 -1553 -992 126 801 -367 -758 -640 467 -1140 1321 412 1389 -287 794 461 767 783 819 1584 2313 977 162 77 996 -670 445 937 192 72 57 91 972 -723 -117 -114 -791 707 -2188 -1302 -2309 -989 -1387 -966 -122 383 196 -372 -158 -73 320 1011 1046 1134 552 630 466 95 -575 7 -1122 441 -286 -1541 -1347 -461 -9 263 567 223 -502 -382 -68 871 180 507 -24 955 -1234 -171 48 -91 224 873 140 1506 1483 -371 406 -571 333 771 689 245 -705 34 16 -319 -664 -562 -336 492 -932 -796 379 -76 -256 -362 400 -223 779 -441 196 -287 -249 -105 -663 608 -294 893 511 430 288 226 449 382 424 43 -192 172 1243 460 331 -291 -788 265 -949 -823 -693 -251 -1203 -1061 -685 -1275 -810 102 640 -289 -587 -487 357 -912 1075 347 1194 -252 699 408 673 682 717 1423 2158 957 162 75 910 -597 393 870 191 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