File name: Pandora69s1_NewBrunswickNJ_20221128_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T215918.5Z 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_20221128_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: 20221128 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 20221128T123050.2Z 8367.521414 58 1 50.76 2 85.55 123.11 136.96 81.59 0.00 1 0.00 1 0 17 6.182e-01 6.427e-02 4.885e-01 5.221e-02 8.769383e-01 3.050121e-02 9.412103e-03 -6.000000e+00 3.643203e-01 223.13 -2.00 3.50 -2.00 321.95 0.00e+00 1.253640e-02 1.067785e-02 8.194508e-04 -6.000000e+00 1.599416e-02 279.38 -2.00 20.00 -2.00 321.58 0.00e+00 10.686 0.022 302.00 328.00 3 -1.2660e+00 9.3304e-02 1.1642e-01 -6.0000e+00 9.0833e-01 1.9857e+00 1.0700e-01 4.4044e-02 -6.0000e+00 9.9553e-01 -1.9513e+00 7.9935e-02 2.3251e-02 -6.0000e+00 5.7933e-01 6.9237e-01 4.5939e-02 7.8877e-03 -6.0000e+00 2.4769e-01 1.5359e-05 9.1694e-04 1.5655e-03 1.0540e-04 -6.0000e+00 1.8401e-02 1.3966e-02 4.2789e-05 12 8 8 10 0 0 -77.71 22.85 1.45 0.01397 0.02086 22 5 1 5 0 2306.740 26.00 20.00 22.85 18.35 23.2 981.49 900000 95859 95313 4220 9210 900000 -65929 900000 900000 23253 -67660 900000 -8651 6906 -10047 -13050 900000 20332 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8238 7301 -13171 5462 -3871 -5539 2590 6371 -5109 6960 943 4108 1885 5610 6210 1523 5760 3885 9723 3716 7883 3433 -4802 7477 -2914 10388 1539 10820 6511 5338 -2570 2119 7170 1937 3572 4000 7923 -5775 4382 2218 9855 6964 -2358 2004 -7457 4109 -5711 -643 -3446 5679 -7478 8506 -15909 5074 8379 -8518 -9909 -1962 8608 -6471 4445 -1903 -12816 -5206 2190 618 -680 344 -1091 -199 4315 -14223 8813 -6336 8229 -8330 5328 3236 1724 6968 8699 3771 1523 9080 -1376 -9302 -2263 6432 2789 11389 -9060 -4150 5577 404 -1602 2315 2850 -11189 SS 20221128T124331.8Z 8367.530230 61 1 49.70 2 83.56 125.30 134.66 83.82 0.00 1 0.00 1 0 25 5.328e-01 1.425e-02 3.541e-01 8.774e-03 7.854729e-01 5.034900e-03 8.440062e-03 -6.000000e+00 3.068504e-01 223.13 -2.00 3.50 -2.00 322.07 0.00e+00 8.861837e-03 2.248165e-03 1.162344e-03 -6.000000e+00 1.310488e-02 279.38 -2.00 20.00 -2.00 321.73 0.00e+00 8.069 0.010 302.00 328.00 3 -7.2951e-01 1.6593e-02 9.0605e-02 -6.0000e+00 7.6176e-01 5.3684e-01 2.4624e-02 4.3256e-02 -6.0000e+00 8.3138e-01 -6.5105e-01 2.9116e-02 2.5447e-02 -6.0000e+00 4.8823e-01 2.6463e-01 1.4072e-02 9.1752e-03 -6.0000e+00 2.0739e-01 1.7675e-04 -9.8679e-04 2.7922e-04 1.2909e-04 -6.0000e+00 1.5247e-02 1.1833e-02 6.1409e-05 12 8 8 10 0 0 -24.08 22.86 0.44 0.01183 0.00442 97 20 1 5 0 512.210 26.00 20.00 22.86 18.79 23.1 984.72 -179263 45633 -140279 -113340 -246669 -112193 -140402 900000 -183669 -180762 900000 -185680 -90353 -98352 -52638 -15541 113816 -60411 36216 -49780 -43551 34025 -110302 132965 -69438 12354 -71452 111751 -10390 -11714 48177 -44358 2001 -25020 25570 3653 -41915 -20057 56309 -16312 -3591 29961 -10199 21419 9443 5552 5663 15654 19916 36996 11952 -2722 32835 11062 38867 8382 19645 4810 7393 13475 3069 12159 11190 19047 6231 11019 2869 8297 9727 10821 3169 6014 4868 883 5298 -3475 1568 -6168 -1478 -2825 -1762 273 -3640 -2599 -1720 3307 584 3036 2518 1462 -868 -1851 99 -2627 556 -955 -77 -1624 -128 230 -1437 -1376 -416 -1091 -2845 -203 -2115 -1600 -846 -905 -436 -509 -397 -735 716 158 662 -830 -137 -992 1002 1273 1654 1161 922 1249 1160 1314 -200 213 300 405 238 286 -63 -46 486 -411 -135 -2 -475 -980 -2369 390 -1418 -969 -5945 -959 -1201 900000 -2713 -2670 900000 -3898 -983 -1529 -655 -173 973 -1174 310 -929 -745 291 -3773 1137 -1673 148 -1778 956 -160 -220 618 -1552 50 -817 525 97 -1792 -811 1396 -875 -184 1165 -618 966 492 311 330 876 1146 1985 929 -271 2502 1127 3112 932 1955 538 782 1351 367 1512 1627 2843 1080 1816 531 1561 2049 2336 788 1466 1145 216 1112 -729 311 -1453 -396 -846 -610 105 -1567 -1178 -827 1595 300 1545 1267 702 -399 -827 44 -1331 319 -659 -62 -1505 -122 212 -1239 -1064 -300 -825 -2338 -172 -1966 -1630 -966 -1176 -624 -760 -591 -1061 978 215 928 -1247 -214 -1575 1508 1836 2299 1561 1206 1590 1505 1899 -338 403 627 905 566 730 -173 -130 1387 -1193 -379 -5 -1181 -2323 SS 20221128T144339.4Z 8367.613651 121 1 4.82 2 68.04 149.34 112.86 101.76 0.00 1 0.00 1 0 17 1.682e-02 6.347e-03 1.113e-02 3.176e-03 3.178244e-01 1.609293e-03 3.846266e-03 -6.000000e+00 9.636154e-03 223.13 -2.00 3.50 -2.00 317.43 0.00e+00 2.637243e-04 2.218743e-04 7.404585e-05 -6.000000e+00 3.919573e-04 279.37 -2.00 20.00 -2.00 317.13 0.00e+00 2.651 0.000 302.00 328.00 3 2.4808e+00 4.2082e-03 3.0777e-02 -6.0000e+00 2.3870e-02 6.0801e-02 4.7129e-03 1.5979e-02 -6.0000e+00 2.6036e-02 -1.2816e-02 2.9527e-03 8.0327e-03 -6.0000e+00 1.5356e-02 -1.5257e-03 1.5062e-03 2.3658e-03 -6.0000e+00 6.5295e-03 2.1380e-03 -1.1722e-04 9.3894e-05 2.8168e-05 -6.0000e+00 4.7495e-04 1.1236e-02 -5.9248e-05 12 1 1 12 1 1 93.87 22.88 0.22 0.01124 0.01036 5 13 1 5 0 773.970 26.00 19.98 22.88 17.57 22.8 975.15 -3115 -3702 -630 -10321 1801 -8247 267 -1913 -11 -1544 -6698 -626 -1364 1046 -586 -150 -260 1216 289 76 1502 -395 1529 -1520 1981 -1738 1612 -3365 2892 2105 876 2208 -1037 -1156 -2566 -83 -3876 1370 -725 -820 -1855 -1368 1342 -907 -166 -815 125 105 177 782 838 829 1458 1356 1058 840 -9 955 1050 995 732 872 1458 731 171 -265 17 -95 908 78 -124 151 -641 995 -459 325 -785 304 -1113 -901 -1400 -1863 -1448 -1279 -715 -704 175 -42 -25 272 276 38 526 671 -38 841 569 600 -409 -339 -619 -774 724 -113 -723 -715 -306 -679 526 224 -98 -82 -43 394 433 904 -76 296 -122 -287 70 240 117 -97 749 -7 1118 895 144 25 -181 166 -149 362 -536 -168 397 -1 -344 -13 -418 -456 -298 -378 -62 -1009 147 -760 25 -202 -1 -180 -829 -80 -201 173 -110 -30 -55 264 66 18 347 -94 375 -401 529 -490 432 -885 702 538 243 652 -334 -367 -788 -26 -1395 542 -336 -418 -1002 -758 742 -511 -93 -457 69 57 97 441 499 518 947 914 728 589 -7 666 724 693 532 671 1183 611 140 -207 13 -74 752 70 -116 143 -601 888 -389 256 -595 230 -912 -802 -1346 -1900 -1526 -1398 -816 -832 211 -51 -31 315 303 40 531 689 -41 980 711 790 -547 -440 -773 -924 848 -139 -927 -942 -416 -953 761 338 -152 -125 -65 563 592 1212 -104 418 -180 -432 105 356 170 -137 1027 -9 1474 1218 206 38 -276 257 -236 588 -904 -289 689 -2 -600 -23 -699 -751 SS 20221128T145641.1Z 8367.622698 131 1 49.84 2 66.84 152.36 110.53 103.57 0.00 1 0.00 1 0 17 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