File name: Pandora69s1_NewBrunswickNJ_20211024_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T191759.1Z 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_20211024_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: 20211024 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 20211024T120403.2Z 7967.502815 273 1 49.84 2 82.70 112.53 58.95 275.07 0.00 1 0.00 1 0 25 5.970e-01 2.916e-02 4.129e-01 1.728e-02 8.153348e-01 1.023429e-02 8.836429e-03 -6.000000e+00 3.534812e-01 225.24 -2.00 3.50 -2.00 322.07 0.00e+00 2.757173e-04 4.393148e-03 1.116694e-03 -6.000000e+00 1.516847e-02 283.49 -2.00 20.00 -2.00 321.73 0.00e+00 7.269 0.007 302.00 328.00 3 9.8608e-01 3.3317e-02 8.4480e-02 -6.0000e+00 8.7990e-01 8.2595e-01 4.3668e-02 4.4084e-02 -6.0000e+00 9.6183e-01 -1.1879e+00 4.5604e-02 2.5091e-02 -6.0000e+00 5.6327e-01 4.8802e-01 2.3110e-02 8.8535e-03 -6.0000e+00 2.3793e-01 6.4646e-05 -1.1870e-03 5.5516e-04 1.2803e-04 -6.0000e+00 1.7449e-02 3.8146e-03 1.3040e-04 12 8 8 10 0 0 40.95 22.84 0.72 0.00381 -0.00511 40 8 1 5 0 1245.760 26.00 20.00 22.84 13.17 13.2 913.13 900000 -81891 144291 38019 900000 -147842 900000 -65137 -97818 -21814 39415 53896 -122676 900000 -16553 900000 -46232 900000 -3334 115219 69576 46259 900000 46713 900000 -75718 900000 -100258 63415 100733 82120 77841 -44312 64329 -46399 328259 -42233 284764 10831 155479 103955 78591 114093 26768 76400 -34927 86169 3634 23317 41210 32388 39645 20470 51054 12758 76360 32874 65796 -5682 33623 727 29041 25887 5968 46233 4163 21375 -1419 18989 14621 11139 17560 7803 29882 -1885 18672 -24217 6013 -12104 6421 -3147 7604 7573 1187 4265 -6152 3487 -3739 5147 421 -762 4630 -5814 -3590 -8522 -3052 3583 -1773 -3431 -405 -3195 -4796 347 -7085 -1117 -6203 692 -3710 -2912 1154 -22 -882 1420 -130 -2749 2448 -2378 1406 837 -28 1611 1047 3104 -954 3832 2302 4227 -481 774 -332 1040 1295 32 -383 -671 980 -56 331 -1475 733 -618 -1580 900000 -2296 2427 640 900000 -5596 900000 -1295 -2842 -367 663 907 -6191 900000 -456 900000 -2050 900000 -102 1938 1170 778 900000 857 900000 -4863 900000 -7206 1067 1695 1381 1428 -3049 1476 -2980 5522 -2906 4790 613 2615 2862 2884 2966 1637 2804 -3899 2899 289 1605 2584 2476 3092 2097 4138 1580 5138 3419 4729 -791 3085 97 3242 3405 1059 5585 758 3367 -300 3688 3354 2828 4216 1969 5529 -427 3113 -6074 1205 -3424 1807 -1045 2580 2781 494 1841 -3104 1652 -1929 2388 194 -331 2004 -2600 -1726 -5017 -2006 2586 -1538 -3189 -355 -2669 -3657 236 -5363 -852 -5261 591 -3646 -3209 1396 -29 -1277 2019 -183 -3811 3181 -3346 2008 1263 -44 2358 1479 4159 -1283 4759 2834 5161 -683 1252 -613 2098 2806 75 -963 -1806 2688 -158 937 -4134 1884 -1504 -3665 SS 20211024T121617.6Z 7967.511314 276 1 49.73 2 80.57 114.65 61.20 276.88 0.00 1 0.00 1 0 17 4.543e-01 1.047e-02 1.993e-01 4.418e-03 6.869042e-01 2.445110e-03 7.519999e-03 -6.000000e+00 2.627912e-01 225.24 -2.00 3.50 -2.00 321.59 0.00e+00 4.474302e-03 1.001692e-03 8.332842e-04 -6.000000e+00 1.074584e-02 283.49 -2.00 20.00 -2.00 321.25 0.00e+00 5.810 0.003 302.00 328.00 3 6.4791e-01 7.6623e-03 6.8371e-02 -6.0000e+00 6.5409e-01 1.8321e-01 1.0907e-02 3.7510e-02 -6.0000e+00 7.1197e-01 -2.7883e-01 1.2833e-02 2.1650e-02 -6.0000e+00 4.1954e-01 1.0964e-01 6.3256e-03 7.5437e-03 -6.0000e+00 1.7873e-01 4.3653e-04 -1.7341e-04 1.3871e-04 9.8347e-05 -6.0000e+00 1.2907e-02 3.3374e-03 9.1318e-05 12 8 8 10 0 0 -5.09 22.85 0.48 0.00334 0.00203 122 25 1 5 0 407.500 26.00 20.00 22.85 14.44 13.2 921.60 -130875 -176902 900000 -197387 3503 -206629 36855 -154178 -159889 -120547 -140765 -41644 -150152 -23107 -98876 36394 -53817 23096 -28726 -22700 7727 -55449 3483 -74790 10042 -50869 35059 -40623 -44789 -7628 -14240 11146 -17830 1549 -27688 8510 -25601 4492 -1809 11501 13291 1154 12893 -4146 20600 848 9032 5143 9411 9316 5873 18497 6646 9276 4288 12305 2472 5534 4201 2233 6073 -139 7508 269 5353 1097 5262 2234 2841 2733 2178 4231 -697 1402 -1695 503 -3754 925 -2467 -1786 492 -2533 -137 -3210 -128 -584 1175 -117 1391 565 -464 268 -1803 341 -2295 -207 486 162 -567 140 80 -1020 61 -1570 -1096 -1909 -781 -728 -69 364 -299 72 -487 225 -385 427 -1 169 -173 -23 47 922 767 -330 1480 202 1736 454 -110 319 173 76 -390 417 -424 165 298 39 -291 -189 4 -629 -974 -2355 900000 -3091 15 -3398 159 -1811 -2191 -1180 -1819 -269 -3409 -209 -2168 266 -990 239 -484 -373 103 -1281 52 -2401 160 -1414 453 -986 -1175 -161 -390 279 -677 49 -1127 253 -1223 190 -99 644 801 84 868 -338 1339 69 700 435 811 883 648 1991 882 1296 660 1807 405 862 646 353 989 -25 1425 60 1158 244 1148 535 766 836 720 1392 -232 424 -476 138 -1048 265 -784 -669 209 -1252 -71 -1830 -76 -368 756 -77 894 346 -268 146 -1005 201 -1601 -165 447 168 -618 147 78 -903 51 -1385 -1028 -1901 -825 -837 -88 517 -467 116 -778 343 -561 608 -1 262 -283 -39 76 1423 1147 -479 2034 273 2324 675 -186 600 357 167 -905 1025 -1034 415 762 101 -739 -491 9 -1477 SS 20211024T122559.7Z 7967.518052 281 1 49.72 2 78.91 116.37 62.97 278.28 0.00 1 0.00 1 0 25 2.976e-01 6.168e-03 7.801e-02 2.171e-03 6.076178e-01 1.168895e-03 6.726906e-03 -6.000000e+00 1.721524e-01 225.24 -2.00 3.50 -2.00 321.13 0.00e+00 2.891626e-03 4.385990e-04 5.768031e-04 -6.000000e+00 6.939149e-03 283.49 -2.00 20.00 -2.00 320.82 0.00e+00 5.014 0.002 302.00 328.00 3 4.0640e-01 3.4789e-03 5.9047e-02 -6.0000e+00 4.2848e-01 6.7112e-02 4.7248e-03 3.2272e-02 -6.0000e+00 4.6641e-01 -9.4535e-02 5.4343e-03 1.8155e-02 -6.0000e+00 2.7463e-01 3.0733e-02 2.7404e-03 6.1643e-03 -6.0000e+00 1.1645e-01 1.2826e-03 -1.5535e-05 6.7336e-05 7.1394e-05 -6.0000e+00 8.4073e-03 3.4020e-03 8.3473e-05 10 0 0 10 0 0 76.24 22.85 0.28 0.00340 0.00329 235 48 1 5 0 211.540 26.00 20.01 22.85 15.75 13.3 931.24 -83058 -82327 -100555 -71047 -106635 -117626 -101360 -135901 -73795 -89328 -74755 -65223 -31267 -46724 -45518 -25951 -35115 -14019 -36945 -14280 -26067 -19880 -14779 -14784 -13752 -24712 -7510 -28266 -20226 -18740 -13586 -5560 -1526 -7718 -8743 -6952 -3425 -2485 -5080 407 -328 1042 3205 613 5325 1772 5290 3463 2051 3696 2994 3722 2698 2538 2369 3774 -9 2119 3 1204 1567 2424 4181 2413 3138 2607 1288 296 775 744 1747 1164 420 520 189 618 -1890 -785 -1019 -1525 -1721 -1964 -1666 -1345 -674 -983 150 435 876 953 613 99 144 267 -249 375 851 111 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