File name: Pandora69s1_NewBrunswickNJ_20240216_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20240217T051833.7Z 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 v1.8.59 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20240216_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: 20240216 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 20240216T122313.3Z 8812.516126 74 1 49.80 2 84.93 111.05 114.00 24.68 0.00 1 0.00 1 0 25 5.470e-01 4.172e-02 5.329e-01 4.200e-02 1.273886e+00 2.619191e-02 1.361542e-02 -6.000000e+00 3.217016e-01 224.97 -2.00 3.50 -2.00 322.53 0.00e+00 -2.088850e-02 9.520851e-03 1.413383e-03 -6.000000e+00 1.356411e-02 275.64 -2.00 20.00 -2.00 322.16 0.00e+00 9.730 0.017 302.00 328.00 3 -1.1525e+00 8.5416e-02 1.1760e-01 -6.0000e+00 8.0310e-01 2.5224e+00 1.0104e-01 6.4555e-02 -6.0000e+00 8.7750e-01 -2.6138e+00 7.9726e-02 3.5976e-02 -6.0000e+00 5.0960e-01 8.9193e-01 4.5689e-02 1.2705e-02 -6.0000e+00 2.1402e-01 2.2208e-05 -2.7832e-04 1.0984e-03 1.8287e-04 -6.0000e+00 1.5975e-02 1.8972e-02 1.2331e-04 12 8 8 10 0 0 8.31 22.77 1.06 0.01897 0.01688 34 7 1 5 0 1464.520 25.90 20.00 22.77 7.80 28.8 955.75 174390 12108 -35669 -55738 900000 146538 900000 900000 131245 -21248 -48896 900000 900000 27026 13430 31726 93758 36584 20786 156912 900000 73112 900000 -19695 22188 164602 -111648 -16259 2705 -64834 -17781 900000 80993 37954 -37587 186620 -63627 493 164155 136487 2451 40795 46083 -10569 58729 122222 -1326 -31936 44560 9558 52073 76768 70011 42241 117066 79645 153381 5003 6953 -3076 84266 2288 8630 108760 17890 31850 43310 -9542 50782 -6501 19416 68812 44674 14778 36423 10725 -20507 -23971 7013 19295 10836 10088 9276 -3361 -4683 10322 18190 2206 4703 -1568 -7400 -8035 -15645 -12526 21802 51 -2544 -657 -6675 -10487 -2179 -5154 -9430 3558 -3532 -1342 -10679 7005 927 7061 -5415 349 4261 1509 -2383 -501 605 -115 4374 1737 3824 2247 4652 -3321 679 -4253 -320 919 3012 1244 -3816 1314 -2602 1445 -1312 1245 -251 880 1163 -421 -1648 -142 7131 630 -2519 -3729 900000 5992 900000 900000 5366 -1106 -3453 900000 900000 1205 749 1533 3834 1632 1004 6416 900000 2989 900000 -1391 1072 6730 -17015 -786 111 -5302 -1058 900000 3312 1552 -2655 7631 -6386 34 6712 5581 219 2669 2638 -951 2401 4997 -92 -3134 2186 743 2981 3767 4008 3454 4787 4885 6272 573 682 -302 3446 234 953 4892 2048 3256 4250 -1756 5814 -1462 3493 7315 5480 2115 3574 1228 -3270 -4509 1176 3471 2525 2722 2731 -1182 -1742 3376 5504 767 1519 -500 -2360 -2595 -5949 -5429 8112 28 -1570 -454 -5111 -7991 -1377 -3203 -5591 1891 -2123 -834 -7991 5012 761 6535 -6562 434 5290 1925 -3100 -641 792 -158 5836 2298 4606 2572 5497 -3741 792 -5147 -392 1195 4657 2307 -8511 3092 -6974 4050 -4034 3827 -790 2708 3380 -1133 -4075 -320 SS 20240216T123507.5Z 8812.524393 77 1 49.63 2 82.83 113.07 113.02 27.35 0.00 1 0.00 1 0 17 5.203e-01 2.029e-02 3.182e-01 7.146e-03 1.072420e+00 4.247917e-03 1.124589e-02 -6.000000e+00 3.004802e-01 224.97 -2.00 3.50 -2.00 322.42 0.00e+00 1.003400e-02 1.979123e-03 1.844158e-03 -6.000000e+00 1.284229e-02 275.64 -2.00 20.00 -2.00 322.06 0.00e+00 7.381 0.007 302.00 328.00 3 -8.4619e-01 1.4485e-02 9.3585e-02 -6.0000e+00 7.4716e-01 1.2332e+00 2.1155e-02 5.7871e-02 -6.0000e+00 8.1419e-01 -1.5962e+00 2.3178e-02 3.3767e-02 -6.0000e+00 4.7955e-01 6.4906e-01 1.1196e-02 1.2345e-02 -6.0000e+00 2.0354e-01 2.4077e-04 -1.3060e-03 2.0030e-04 1.9404e-04 -6.0000e+00 1.4760e-02 1.8946e-02 5.6133e-05 12 8 8 10 0 0 3.76 22.77 0.41 0.01895 0.00913 141 29 1 5 0 351.940 25.90 20.00 22.77 8.15 28.8 958.43 -151213 127237 -134416 -41109 -109365 -147575 -67240 -227716 118697 -150053 900000 -71118 54056 -41320 -26809 65189 -70093 190013 -62490 900000 -47587 900000 -47441 80174 -34895 57980 37475 -52850 40171 -56191 102296 21806 45540 29206 49354 45604 4897 49937 -11784 103928 1681 60761 17568 16798 39033 22756 27448 20554 107544 14368 108061 31953 67704 38480 38152 54654 23155 47562 7421 44147 16055 41404 16517 33828 25611 18225 25776 18699 34901 16494 26165 13325 19543 4813 1428 2749 -6340 4788 -3117 12075 1384 4557 336 4092 62 1001 3888 1240 6338 -1356 2816 -3036 954 -3886 -4913 -2229 -1384 -851 -2843 432 -3645 -1427 -1743 -2844 -3249 -3017 -1821 -4571 -1894 -2311 -1422 -1657 -263 -1338 -509 760 -110 793 -234 1750 1536 3119 1590 2412 1419 1303 2373 310 899 -1 821 110 599 -73 97 -16 96 296 -548 43 -1166 -1170 -4404 886 -3319 -338 -1523 -2803 -553 -9227 827 -2755 900000 -810 376 -628 -441 545 -2263 1323 -1978 900000 -1145 900000 -1081 558 -685 485 365 -1104 392 -1636 855 442 888 592 825 794 127 1043 -485 1665 72 1500 678 649 1211 850 1025 885 2322 801 2935 1861 3000 2436 2488 3045 1730 2620 573 2320 1189 2726 1642 3191 2724 2135 2970 2522 4552 2651 4373 2289 3192 810 218 379 -979 758 -602 2453 371 1351 112 1389 23 386 1489 489 2310 -501 938 -1055 337 -1660 -2560 -1370 -1011 -710 -2545 361 -2888 -969 -1093 -1847 -2240 -2192 -1425 -4138 -1944 -2798 -1937 -2417 -385 -1953 -717 1057 -160 1199 -369 2654 2201 4152 2067 2998 1738 1572 2944 453 1554 -3 1848 273 1467 -193 273 -46 278 853 -1517 117 -2965 -2771 SS 20240216T124604.9Z 8812.532001 80 1 49.82 2 80.92 114.96 112.04 29.75 0.00 1 0.00 1 0 17 7.726e-01 1.188e-02 1.150e-01 2.609e-03 9.230852e-01 1.470940e-03 9.750533e-03 -6.000000e+00 4.455299e-01 224.97 -2.00 3.50 -2.00 321.98 0.00e+00 5.862940e-03 6.554291e-04 1.349391e-03 -6.000000e+00 1.801015e-02 275.64 -2.00 20.00 -2.00 321.65 0.00e+00 6.013 0.004 302.00 328.00 3 -7.6059e-01 4.8073e-03 7.7557e-02 -6.0000e+00 1.1081e+00 4.5303e-01 7.8879e-03 5.0870e-02 -6.0000e+00 1.2074e+00 -5.3661e-01 9.7145e-03 3.0640e-02 -6.0000e+00 7.1115e-01 2.1089e-01 4.5844e-03 1.1030e-02 -6.0000e+00 3.0092e-01 1.0464e-03 -2.6175e-04 7.3514e-05 1.4693e-04 -6.0000e+00 2.1834e-02 1.9051e-02 4.1759e-05 12 8 8 10 0 0 -8.40 22.78 0.30 0.01905 0.01708 313 64 1 5 0 159.130 25.90 20.00 22.78 8.65 28.7 960.93 -246606 -256594 -199615 -243335 -269144 -243714 -241619 -194233 -285603 -226722 -233809 -171484 -185160 -106516 -114699 -98401 -54588 -83750 -32657 -73772 -65465 -90651 -38623 -76553 -68518 -64869 -64036 -41454 -68660 -38453 -44955 -18350 -19051 -12063 -24812 -17083 7928 -10430 15344 9128 25747 8252 23888 10456 13091 5001 6167 9757 5361 21976 10927 19185 13146 19781 15216 12383 11916 8571 12956 6284 11269 6531 13847 9194 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