File name: Pandora69s1_NewBrunswickNJ_20220921_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T213406.5Z 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_20220921_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: 20220921 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 20220921T111550.1Z 8299.469330 203 1 50.28 2 84.85 93.60 35.40 108.21 0.00 1 0.00 1 0 25 6.070e-01 8.210e-02 5.350e-01 7.436e-02 9.966303e-01 4.662851e-02 1.149516e-02 -6.000000e+00 3.771603e-01 228.62 -2.00 3.50 -2.00 321.83 0.00e+00 -1.960511e-03 1.395602e-02 6.722775e-04 -6.000000e+00 1.903713e-02 287.50 -2.00 20.00 -2.00 321.44 0.00e+00 9.592 0.016 302.00 328.00 3 -2.8720e-03 1.4097e-01 1.0987e-01 -6.0000e+00 9.4276e-01 2.2355e+00 1.6004e-01 5.1970e-02 -6.0000e+00 1.0296e+00 -2.1996e+00 1.0419e-01 2.6388e-02 -6.0000e+00 6.0032e-01 8.0014e-01 5.8671e-02 8.2610e-03 -6.0000e+00 2.5757e-01 9.1794e-06 -5.9399e-03 2.1377e-03 1.3121e-04 -6.0000e+00 1.8660e-02 1.2520e-02 -1.3544e-08 12 8 8 10 0 0 75.79 22.72 1.48 0.01252 -0.03212 13 3 1 5 0 3866.770 25.90 20.01 22.72 22.39 22.1 969.17 -38864 900000 900000 900000 900000 900000 900000 -34225 -10536 900000 33153 76638 900000 247249 900000 900000 900000 90877 74530 900000 59607 900000 60714 92848 84120 900000 -47003 900000 19565 900000 900000 111838 111115 53723 28273 -75641 12739 102328 144587 900000 -27499 89457 131538 42819 49769 3730 900000 295112 -4826 -33415 900000 88927 62659 -81 67825 900000 -8734 148341 47652 900000 26966 3562 -7208 -17921 96568 21516 73245 -9213 21198 65124 4383 55380 63053 -40402 -18263 -47914 26710 14135 -39602 167103 -34213 1973 8744 2077 55655 34708 50084 -18627 44019 47061 39822 -36368 4562 -11484 -7871 21444 -437 13855 -464 25449 -16046 1077 -5207 6117 -10028 -4479 -4880 -6007 4512 -3537 2021 1408 3535 -3105 2177 -9966 -7984 4783 4969 11754 638 10670 -1068 -464 -2202 3115 1124 -2187 1460 -1928 4589 1424 -4955 89 1886 -633 -1924 2534 -401 -2521 3242 -1502 -9373 900000 900000 900000 900000 900000 900000 -4046 -988 900000 2392 5530 900000 17841 900000 900000 900000 6557 5378 900000 4301 900000 4381 6700 6070 900000 -6967 900000 1412 900000 900000 8070 8018 3876 2170 -15067 1140 7384 10433 900000 -5509 6455 9491 4018 4132 466 900000 21294 -679 -6616 900000 6417 6196 -15 6916 900000 -1843 10704 5024 900000 3257 582 -1470 -4476 8228 3731 7903 -2321 4423 9934 1263 9762 9695 -15034 -4809 -14882 3916 2507 -13716 12058 -15659 725 3261 866 14669 11595 14749 -10580 13413 13129 11066 -20150 1737 -5617 -4332 10538 -311 9854 -404 16935 -14741 747 -3497 3700 -7493 -3329 -3899 -5333 4110 -4022 2467 1859 4674 -4326 2795 -14166 -11412 6321 6827 15168 880 12657 -1364 -568 -2659 3493 1293 -2874 2165 -3395 8495 2965 -11780 218 4817 -1716 -5350 6775 -1072 -6420 7206 -3255 SS 20220921T112746.0Z 8299.477616 206 1 49.67 2 82.59 95.56 33.32 111.23 0.00 1 0.00 1 0 17 5.418e-01 1.543e-02 3.275e-01 8.509e-03 8.312572e-01 4.882264e-03 8.805349e-03 -6.000000e+00 3.171972e-01 228.62 -2.00 3.50 -2.00 322.03 0.00e+00 5.381010e-03 2.171748e-03 1.185173e-03 -6.000000e+00 1.263108e-02 287.49 -2.00 20.00 -2.00 321.69 0.00e+00 7.169 0.007 302.00 328.00 3 1.9327e-02 1.6153e-02 8.4682e-02 -6.0000e+00 7.9557e-01 5.4453e-01 2.4291e-02 4.6494e-02 -6.0000e+00 8.6429e-01 -6.8963e-01 2.8445e-02 2.7250e-02 -6.0000e+00 5.0784e-01 2.7135e-01 1.3618e-02 9.6663e-03 -6.0000e+00 2.1354e-01 1.8103e-04 -5.7528e-04 2.6067e-04 1.2476e-04 -6.0000e+00 1.5375e-02 1.0560e-02 8.7562e-05 12 8 8 10 0 0 32.64 22.72 0.46 0.01056 0.00624 80 16 1 5 0 620.700 25.90 20.01 22.72 23.04 22.1 973.78 -108730 -184752 110658 -203665 -127833 -115298 -80675 -72885 -255270 -171328 -217698 -100630 -145773 900000 -52001 -15249 -80616 -56256 -16790 -65012 -11161 -83824 -42103 -86899 16603 -66486 -58578 -35488 -72459 -38734 -43554 14273 -14007 15834 -16339 57069 34431 9952 5072 3757 83266 19516 43388 38620 31150 19245 45099 26137 3253 30336 14067 45807 9117 25522 13375 27331 8822 5012 3924 1409 17475 5436 23349 10340 17651 7887 10108 4762 4427 10301 7384 14094 73 1837 7256 6365 640 728 -740 -2251 1199 -4455 -472 -2296 259 -705 634 634 1199 1490 -1410 -750 -3061 -345 -884 -1087 -1211 -1602 -190 -413 -1320 -1676 205 -2859 -1934 -991 -439 -1287 -400 -333 -1505 -341 -596 208 -658 1687 -102 159 579 -594 692 1014 1161 686 2016 704 981 928 -638 1019 12 145 -72 483 -349 291 188 -2 -243 -491 276 -1330 -902 -2647 918 -3225 -1060 -956 -669 -605 -7059 -2326 -5089 -911 -2748 900000 -627 -149 -1702 -1018 -215 -1373 -135 -2086 -730 -2490 175 -1655 -1325 -616 -1913 -876 -1281 280 -412 346 -468 818 701 308 199 173 1884 883 1603 1514 1339 958 1803 1340 207 1784 1011 2902 838 2152 1331 2437 951 544 415 153 1727 688 2857 1601 2599 1281 1670 895 952 2364 1863 3352 19 431 1440 1166 123 155 -190 -706 426 -1900 -209 -1102 130 -376 344 349 644 753 -686 -350 -1494 -182 -549 -800 -969 -1461 -179 -376 -1211 -1382 156 -2336 -1668 -894 -425 -1385 -446 -424 -2145 -502 -880 296 -907 2253 -144 235 892 -930 1030 1443 1727 986 2772 958 1355 1435 -1068 1896 24 323 -171 1226 -952 815 536 -5 -679 -1290 674 -3123 SS 20220921T113832.4Z 8299.485097 209 1 48.92 2 80.56 97.35 31.48 114.18 0.00 1 0.00 1 0 17 5.080e-01 7.349e-03 1.311e-01 2.978e-03 7.047918e-01 1.640260e-03 7.628964e-03 -6.000000e+00 2.973265e-01 228.62 -2.00 3.50 -2.00 321.53 0.00e+00 3.460929e-03 6.675606e-04 8.071115e-04 -6.000000e+00 1.184051e-02 287.49 -2.00 20.00 -2.00 321.20 0.00e+00 5.799 0.003 302.00 328.00 3 1.2709e-03 5.1074e-03 6.9073e-02 -6.0000e+00 7.4576e-01 1.5206e-01 7.5121e-03 3.8728e-02 -6.0000e+00 8.1011e-01 -1.6245e-01 9.0476e-03 2.2163e-02 -6.0000e+00 4.7582e-01 5.7062e-02 4.4174e-03 7.6102e-03 -6.0000e+00 2.0008e-01 7.9902e-04 -2.4974e-04 9.0841e-05 8.9431e-05 -6.0000e+00 1.4366e-02 1.0316e-02 7.5764e-05 11 8 0 10 0 0 82.03 22.72 0.30 0.01032 0.00844 175 36 1 5 0 279.510 25.90 20.01 22.72 24.00 22.1 979.50 -180074 -167058 -176060 -215758 -193543 -122124 -183779 -104831 -132408 -135659 -167965 -101225 -107427 -65958 -67532 -66913 -8278 -45819 -30940 -37525 -34795 9288 -43298 -33664 -38549 -19226 -39862 -3116 -12255 7720 -17194 -14963 -8301 -9439 -4009 -13120 -7798 -4709 10327 -265 -80 581 1797 1383 3892 8816 350 3751 -392 2625 3917 5093 4913 3671 8348 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