File name: Pandora69s1_NewBrunswickNJ_20221219_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T220647.3Z 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_20221219_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: 20221219 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 20221219T125124.5Z 8388.535700 195 1 51.21 2 85.29 126.47 54.29 171.90 0.00 1 0.00 1 0 17 8.017e-01 8.757e-02 5.586e-01 7.875e-02 1.023599e+00 4.870651e-02 1.165914e-02 -6.000000e+00 4.743548e-01 222.98 -2.00 3.50 -2.00 321.85 0.00e+00 -4.587960e-04 1.367228e-02 6.545751e-04 -6.000000e+00 2.261867e-02 277.26 -2.00 20.00 -2.00 321.47 0.00e+00 10.269 0.020 302.00 328.00 3 -5.9399e-01 1.4648e-01 1.1548e-01 -6.0000e+00 1.1814e+00 2.4979e+00 1.6475e-01 5.0963e-02 -6.0000e+00 1.2993e+00 -2.3112e+00 1.0423e-01 2.6113e-02 -6.0000e+00 7.5217e-01 7.3874e-01 6.0667e-02 8.4494e-03 -6.0000e+00 3.1894e-01 8.5846e-06 2.0172e-05 2.2237e-03 1.3048e-04 -6.0000e+00 2.3532e-02 1.2956e-02 1.8701e-04 12 8 8 10 0 0 32.38 22.78 2.34 0.01296 0.01311 14 3 1 5 0 3657.270 25.90 19.99 22.78 4.67 21.8 901.04 900000 185137 27066 9468 35676 -72757 900000 900000 250375 900000 135112 -41375 206811 97545 110206 131866 -36910 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4101 -621 900000 8823 -12826 9542 16497 -6013 900000 900000 23616 -10772 24579 12601 900000 -9879 -9939 4482 9553 -12903 2813 4000 2273 14749 7506 6937 -14718 5934 -1653 4973 10817 6727 9412 7041 5868 -3161 15604 -3647 -8199 4559 9018 11199 6991 -2692 9827 15483 -585 3378 8313 4572 -8592 -7906 -13411 7631 5380 -10836 11615 -1444 1719 4986 4477 -12885 -8845 3080 -6862 -1714 -5499 -2977 9101 3516 -4133 -6420 11095 3036 8102 -8383 954 2590 3962 4943 -3839 890 5565 83 -9175 4546 -7455 3901 -1369 8998 -5189 -2352 3325 -2383 -4866 -864 -738 3531 -10177 4868 -1738 11277 SS 20221219T130403.2Z 8388.544482 198 1 49.67 2 83.38 128.66 54.08 175.61 0.00 1 0.00 1 0 25 4.096e-01 2.186e-02 3.678e-01 1.439e-02 9.769263e-01 8.639987e-03 1.042508e-02 -6.000000e+00 2.391742e-01 222.98 -2.00 3.50 -2.00 322.35 0.00e+00 7.543014e-03 4.038171e-03 1.602154e-03 -6.000000e+00 1.166793e-02 277.26 -2.00 20.00 -2.00 322.01 0.00e+00 7.897 0.009 302.00 328.00 3 -1.0757e-01 2.9054e-02 9.4449e-02 -6.0000e+00 5.9395e-01 1.2227e+00 4.0707e-02 5.2776e-02 -6.0000e+00 6.5032e-01 -1.6341e+00 4.3825e-02 3.0806e-02 -6.0000e+00 3.7960e-01 6.5643e-01 2.1603e-02 1.1224e-02 -6.0000e+00 1.6270e-01 8.2805e-05 -1.9344e-03 4.2871e-04 1.6320e-04 -6.0000e+00 1.2388e-02 1.4007e-02 9.3813e-05 12 8 8 10 0 0 -23.06 22.79 0.73 0.01401 -0.00053 62 13 1 5 0 801.000 25.90 20.00 22.79 5.09 21.8 904.45 -27204 -23198 900000 900000 900000 -165924 900000 -164067 900000 -118255 900000 900000 -4704 900000 15415 900000 -4956 39888 -14589 -14860 82328 89218 -71670 35395 -1254 -49798 900000 -37375 -879 -6571 78796 35830 104521 83596 -6790 900000 25586 135347 -2378 57018 76952 74950 27733 20488 52212 7583 77444 57749 64492 -7396 101529 29041 76428 20800 26606 50606 25709 53670 -18649 28456 -1246 33295 27364 33520 37929 13533 27547 5400 39773 8367 17947 17333 17236 8715 7140 6429 -5646 3894 -6321 9039 -5097 3127 100 -2978 1307 2500 8428 -1520 9182 -2964 1497 -8520 -4203 -2498 -4370 -1077 -2914 1481 -4133 393 -2765 -294 -795 -3458 -3078 -6108 -908 -4270 -467 -2798 -468 -1151 -597 780 309 109 -1257 2441 -1722 1707 1166 2333 1098 1116 1899 1764 1699 505 1433 -198 1158 -432 686 377 -457 126 -30 55 -812 96 -1364 -136 -485 -413 900000 900000 900000 -7603 900000 -7101 900000 -3161 900000 900000 -66 900000 275 900000 -132 711 -446 -435 1153 1249 -3193 541 -27 -1711 900000 -999 -17 -159 1103 821 1463 1277 -233 900000 684 1895 -112 1669 1959 2003 1200 939 1728 396 2277 1985 2216 -574 3270 1922 3405 1721 2134 3221 2062 3074 -2065 1920 -119 2543 2578 3328 3718 1705 3156 832 4911 1587 3267 3155 2940 1453 1063 876 -870 610 -1328 1979 -1518 979 35 -1133 506 999 3261 -654 3471 -1192 539 -3308 -1626 -1075 -2286 -655 -2151 1203 -3438 331 -2207 -202 -508 -2329 -2194 -4742 -727 -3951 -480 -3144 -580 -1535 -805 1019 393 139 -1678 3303 -2528 2408 1721 3234 1487 1459 2400 2193 2174 743 2465 -365 2362 -973 1643 975 -1270 358 -87 159 -2279 247 -3294 -303 SS 20221219T131501.6Z 8388.552102 201 1 48.94 2 81.78 130.62 54.03 178.83 0.00 1 0.00 1 0 25 5.975e-01 1.375e-02 2.632e-01 5.102e-03 8.607483e-01 2.906225e-03 9.261240e-03 -6.000000e+00 3.447211e-01 222.98 -2.00 3.50 -2.00 322.06 0.00e+00 5.436721e-03 1.305047e-03 1.295889e-03 -6.000000e+00 1.423744e-02 277.25 -2.00 20.00 -2.00 321.71 0.00e+00 6.563 0.005 302.00 328.00 3 -1.1475e-01 9.5673e-03 7.9819e-02 -6.0000e+00 8.5327e-01 4.3073e-01 1.5032e-02 4.7432e-02 -6.0000e+00 9.3140e-01 -6.1393e-01 1.8182e-02 2.8451e-02 -6.0000e+00 5.4749e-01 2.5018e-01 8.6535e-03 1.0290e-02 -6.0000e+00 2.3358e-01 3.7398e-04 -9.4154e-04 1.5340e-04 1.4537e-04 -6.0000e+00 1.6967e-02 1.3888e-02 7.7069e-05 12 8 8 10 0 0 -6.57 22.80 0.42 0.01389 0.00681 147 30 1 5 0 332.880 25.90 20.00 22.80 5.63 21.8 907.52 -107711 900000 -275868 -56824 -247477 900000 -222073 -217369 -168627 -82408 -194602 -162995 -124742 -176418 -7693 -105823 39992 -72798 -23937 -65607 -67492 -40417 -57882 -1676 -98543 -37980 -92708 71291 -61203 -16012 -61050 -22900 31618 -27470 1056 -32862 27764 -23919 -3287 3171 36339 -2162 10898 32254 -6695 47079 12143 3805 12747 17508 20139 14762 30636 17093 23875 10181 20453 7410 7635 7189 2076 14449 7747 14836 5494 15782 4935 10850 3485 8333 6538 5562 9887 5210 6344 -2526 2880 -2916 568 -82 692 -570 -1160 305 -1482 866 -209 2652 1139 598 -842 -1540 -1087 -3021 -690 -1814 462 -1311 -130 -1438 259 -1136 -608 -1543 -2746 -1659 -2416 -1496 -1501 -739 -343 -532 119 -468 1045 -45 520 -325 44 -207 888 805 519 1182 986 1268 1225 1390 206 945 712 196 5 -287 -92 -241 386 -491 -174 59 -307 -716 -536 900000 -6111 -283 -3468 900000 -2610 -2653 -1509 -410 -2375 -1842 -1297 -4068 -46 -1818 199 -1119 -262 -1008 -1037 -523 -950 -17 -2450 -585 -2221 355 -1217 -247 -1684 -518 519 -745 23 -936 538 -843 -114 120 1084 -101 463 1123 -351 1490 571 208 692 1013 1293 1114 2174 1507 2062 1040 1896 757 749 709 231 1620 1082 2160 904 2362 861 1933 699 1803 1536 1328 2147 1082 1268 -506 547 -651 135 -24 233 -221 -488 135 -711 427 -108 1340 572 285 -381 -681 -492 -1557 -409 -1292 379 -1243 -127 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