File name: Pandora69s1_NewBrunswickNJ_20220908_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T212647.7Z 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_20220908_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: 20220908 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 20220908T110053.3Z 8286.458950 162 1 48.13 2 85.34 86.61 122.38 269.96 0.00 1 0.00 1 0 33 7.547e-01 9.071e-02 5.565e-01 7.622e-02 1.131029e+00 4.747497e-02 1.267929e-02 -6.000000e+00 4.714166e-01 229.85 -2.00 3.50 -2.00 321.90 0.00e+00 -1.154197e-02 1.388072e-02 6.866043e-04 -6.000000e+00 2.094134e-02 288.75 -2.00 20.00 -2.00 321.52 0.00e+00 10.297 0.020 302.00 328.00 3 -9.2952e-01 1.4396e-01 1.1908e-01 -6.0000e+00 1.1917e+00 2.6108e+00 1.6175e-01 5.7078e-02 -6.0000e+00 1.2994e+00 -2.4496e+00 1.0053e-01 2.8617e-02 -6.0000e+00 7.5421e-01 8.4565e-01 5.9296e-02 8.7712e-03 -6.0000e+00 3.1260e-01 9.4298e-06 -1.7869e-03 2.0513e-03 1.4475e-04 -6.0000e+00 2.4093e-02 1.3225e-02 -2.1384e-05 12 8 8 10 0 0 35.05 22.81 1.80 0.01322 -0.00020 13 3 1 5 0 3702.010 25.90 20.01 22.81 25.28 21.9 987.42 -7365 31094 22407 20055 900000 -39645 900000 900000 -45990 900000 -37463 900000 900000 -9129 -14077 -18235 900000 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22454 10833 9363 -7228 11241 15779 900000 7122 5163 1778 9668 3589 -557 900000 6030 3146 4761 15975 1774 9355 21998 -9629 900000 3397 6344 7288 900000 2289 15062 -8079 5907 8955 10258 6494 -6780 12384 9044 -5347 -5662 7679 -9589 1587 10733 -7177 6048 421 3726 1252 11983 3102 1571 -8562 -1914 4300 -15557 6190 6651 -31836 -147 10594 -1031 5673 -3006 -505 -1600 -5819 3590 -9534 -7640 -7344 4400 9264 6324 6667 9681 15801 -21911 -6460 -17041 8301 3113 1845 5174 -13362 10795 -2487 352 1852 12356 3735 16888 4144 8361 -9993 1311 7299 -459 -12550 -2030 7054 -7133 -2851 439 SS 20220908T111300.8Z 8286.467371 165 1 49.47 2 83.03 88.57 124.56 271.91 0.00 1 0.00 1 0 17 5.089e-01 1.809e-02 3.386e-01 9.761e-03 9.104718e-01 5.813219e-03 9.640892e-03 -6.000000e+00 2.998327e-01 229.85 -2.00 3.50 -2.00 322.26 0.00e+00 4.226168e-03 2.599576e-03 1.379913e-03 -6.000000e+00 1.220409e-02 288.75 -2.00 20.00 -2.00 321.91 0.00e+00 7.547 0.008 302.00 328.00 3 -3.0035e-01 1.9635e-02 9.0665e-02 -6.0000e+00 7.5498e-01 8.2469e-01 2.8213e-02 5.0757e-02 -6.0000e+00 8.2018e-01 -1.0561e+00 3.1562e-02 2.9089e-02 -6.0000e+00 4.8101e-01 4.2480e-01 1.5248e-02 1.0270e-02 -6.0000e+00 2.0138e-01 1.5213e-04 -1.1431e-03 2.9941e-04 1.4851e-04 -6.0000e+00 1.4406e-02 9.8912e-03 7.2851e-05 12 8 8 10 0 0 -3.51 22.81 0.45 0.00989 0.00130 82 17 1 5 0 603.140 25.90 20.01 22.81 25.87 21.9 991.54 -157170 -207351 -64178 -125203 -174728 -195335 -97619 -10706 -175660 -71951 -201030 900000 -119265 -24916 -77340 -58175 4371 60243 900000 -65845 -27666 -87869 61405 -78669 -41409 -48279 -9075 -1858 -83042 -27465 -46698 19369 45608 35009 38511 86954 13550 -21813 55609 45871 32041 22921 19116 -942 -8398 31719 37410 38783 17907 35217 16282 34503 28117 29969 33142 29349 13908 3838 42490 -4785 10400 14916 33075 20426 12887 23719 19664 17391 12347 20065 6871 12241 8394 5804 1860 -262 2901 -4196 -646 1636 8144 -1073 1508 -1583 -1862 1275 1397 1214 2398 -529 508 -2560 -367 -1915 -5285 -2636 -1539 -1520 -1405 -1351 361 -1873 -1564 -4923 -2422 -2123 -1999 -1235 -1461 -831 -1035 -1341 -1514 -7 -138 -380 563 -733 1963 82 2070 1570 2176 1525 1397 248 2224 490 471 943 677 216 -495 6 284 -17 320 254 -340 -126 -548 -1604 -2583 -6098 -611 -1408 -2871 -3886 -929 -102 -3343 -685 -5390 900000 -2269 -261 -1539 -1107 54 573 900000 -1652 -500 -2584 584 -2313 -860 -1086 -147 -27 -2514 -627 -1454 405 824 699 696 993 361 -887 1376 1440 1136 932 827 -50 -479 1235 1424 1543 945 1736 1098 2149 2043 2307 2580 2437 1347 395 2830 -505 999 1548 3318 2597 1817 3016 2721 2662 2264 3853 1605 2721 1837 1185 351 -46 492 -846 -151 451 2479 -374 555 -639 -804 561 634 557 1067 -228 203 -1025 -148 -878 -2958 -1712 -1169 -1319 -1280 -1193 288 -1364 -1060 -3568 -1822 -1682 -1710 -1163 -1571 -1024 -1429 -1963 -2239 -9 -189 -520 791 -1098 2987 126 3016 2195 2917 1980 1763 310 2781 701 784 1785 1427 494 -1222 15 798 -50 941 750 -979 -338 -1368 -3812 SS 20220908T113504.2Z 8286.482688 173 1 50.06 2 78.84 92.16 128.50 275.62 0.00 1 0.00 1 0 17 4.168e-01 1.413e-02 2.782e-01 9.885e-03 6.350461e-01 5.456087e-03 7.045725e-03 -6.000000e+00 2.469341e-01 229.84 -2.00 3.50 -2.00 321.10 0.00e+00 1.003422e-03 1.980869e-03 5.767490e-04 -6.000000e+00 1.016309e-02 288.75 -2.00 20.00 -2.00 320.78 0.00e+00 4.983 0.002 302.00 328.00 3 2.8405e+00 1.6350e-02 6.0224e-02 -6.0000e+00 6.2069e-01 2.3449e-01 2.1303e-02 3.4175e-02 -6.0000e+00 6.7419e-01 -1.8581e-01 2.3384e-02 1.8497e-02 -6.0000e+00 3.9424e-01 6.5847e-02 1.1860e-02 6.0368e-03 -6.0000e+00 1.6657e-01 1.0173e-04 2.4745e-05 3.0648e-04 7.6291e-05 -6.0000e+00 1.2054e-02 9.0923e-03 6.3707e-05 12 9 8 11 8 0 23.56 22.80 0.30 0.00909 0.00928 15 3 1 5 0 3336.320 25.90 20.01 22.80 26.13 21.7 990.81 -71402 900000 -199883 900000 -135507 900000 -62975 -140451 -38176 -90048 -54056 -120188 219119 -66766 185506 -59602 -22315 -22370 -61791 17384 -58620 -2698 -58904 43115 -6376 65783 -11319 9405 -25883 -28351 5176 15045 29500 -28403 -9926 -7554 791 13496 -8527 8385 1704 14141 3324 17668 6126 2114 -5207 8976 -7989 18715 12672 16780 8967 10604 18289 -1675 -107 5920 2792 307 5023 5850 -2981 5528 -4541 6536 -4185 -1377 736 1528 4442 228 4272 -1044 6498 -2869 -1752 -3453 -1882 -1028 628 -2448 -4854 -1400 -2878 -22 1369 1934 3159 -2045 1348 -479 -588 -1338 -183 100 987 405 1027 618 -1068 -258 -1899 -1852 -2620 -132 -715 -792 -438 97 118 -255 -425 -1067 1235 -4 -182 -112 480 248 120 -374 32 1300 396 722 2079 1681 465 -346 1244 -50 102 -782 233 -638 463 -456 692 -5 -627 -781 -688 900000 -5763 900000 -1910 900000 -607 -2698 -368 -1276 -588 -2850 2111 -1481 1787 -1699 -496 -541 -2278 320 -2191 -62 -2441 753 -186 1032 -358 236 -915 -1162 182 556 1059 -1758 -498 -392 43 783 -736 713 168 1306 352 1651 648 236 -638 994 -1094 2166 1731 2419 1517 1899 3182 -366 -23 1195 567 64 1071 1377 -861 1591 -1442 1823 -1314 -446 264 612 1848 100 1742 -418 2187 -966 -568 -1209 -748 -473 327 -1461 -3172 -939 -2101 -17 1047 1491 2366 -1519 903 -311 -379 -933 -143 90 1003 459 1192 694 -1132 -247 -1776 -1814 -2752 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