File name: Pandora64s1_NewHavenCT_20240921_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240922T062249.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240921_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240921 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240921T111937.1Z 9030.471957 245 1 48.17 2 83.15 95.51 51.91 262.66 0.00 1 0.00 1 0 25 4.833e-01 3.229e-02 2.089e-01 6.850e-03 9.065932e-01 4.036734e-03 1.237982e-02 -6.000000e+00 2.926952e-01 228.47 -2.00 3.52 -2.00 322.05 0.00e+00 3.984011e-02 2.381920e-03 4.473188e-03 -6.000000e+00 1.310702e-02 286.84 -2.00 20.00 -2.00 321.57 0.00e+00 7.661 0.008 302.00 328.00 3 3.7052e-01 1.5980e-02 9.2063e-02 -6.0000e+00 7.2712e-01 1.3781e+00 1.9137e-02 6.5872e-02 -6.0000e+00 7.8547e-01 -1.7611e+00 1.3603e-02 2.7302e-02 -6.0000e+00 4.6879e-01 7.1734e-01 6.7779e-03 3.2001e-02 -6.0000e+00 1.9955e-01 5.7018e-05 -3.5476e-03 1.8255e-04 6.4479e-04 -6.0000e+00 1.4375e-02 2.7108e-03 -7.5827e-05 12 8 8 10 0 0 -19.67 21.43 0.17 0.00271 -0.02395 72 17 1 5 0 669.000 25.90 20.00 21.43 23.35 40.2 1009.92 32098 87572 56241 100215 -154660 2168 -2571 -41108 19201 44205 -57364 -46811 -5367 59864 93366 150228 88121 241893 62140 98250 87372 167157 92207 80444 42003 43936 -5794 592 32229 -35299 38524 82231 49779 66179 51122 40471 22581 28588 53294 42381 46982 61931 72255 26426 64474 45121 83626 54383 49625 27160 72883 63174 72928 39112 51379 33088 27046 21544 32141 20201 24051 18694 32963 20816 47842 20446 28126 29722 20730 19967 21748 17555 11193 6678 4810 162 16418 -1149 2929 7611 3071 1751 3532 -1824 -52 -848 -1667 -1854 1480 2185 -5361 -4395 -8525 -9785 -5420 -3752 -5098 -1200 869 -829 -740 -2180 -6892 -3812 -6129 -5281 -5323 -984 -3398 -1874 -838 -1540 -1462 -681 -1130 -1596 -258 745 1782 3218 2412 3209 3764 4187 3199 2270 -605 1821 1732 1864 1522 298 284 -226 469 -437 -1070 4 574 -277 -1011 -2812 893 1648 1434 1400 -18752 53 -53 -1048 233 376 -1324 -1222 -134 1090 1587 1733 2087 1616 2037 2148 1910 1421 1456 1221 816 774 -162 16 704 -1907 1310 2147 2025 2250 1800 1524 1042 1319 2071 1956 2139 2519 2808 1685 2936 2630 3504 3269 3314 2441 4558 4680 5136 3657 4523 3375 2574 2237 2908 2110 2629 2268 4018 3256 5965 3334 4383 4748 4015 4323 4805 4016 2554 1446 945 30 2641 -244 724 2186 1077 653 1390 -794 -23 -403 -828 -932 712 995 -2471 -1942 -3985 -5158 -3255 -2668 -4353 -1061 806 -768 -635 -1812 -5531 -3034 -5318 -4770 -4866 -954 -3866 -2421 -1203 -2358 -2267 -1031 -1671 -2359 -392 1179 2933 5244 3807 4775 5398 5769 4343 3059 -845 2788 2905 3564 3256 696 667 -569 1253 -1212 -3012 12 1562 -712 -2438 -6892 SS 20240921T113008.8Z 9030.479269 248 1 48.50 2 81.19 97.28 53.80 264.54 0.00 1 0.00 1 0 25 5.580e-01 1.727e-02 1.018e-01 2.743e-03 7.721881e-01 1.583322e-03 9.470384e-03 -6.000000e+00 3.378656e-01 228.47 -2.00 3.52 -2.00 321.51 0.00e+00 1.216338e-02 8.653433e-04 5.026527e-03 -6.000000e+00 1.513277e-02 286.83 -2.00 20.00 -2.00 320.96 0.00e+00 6.168 0.004 302.00 328.00 3 7.4183e-01 5.8142e-03 7.6205e-02 -6.0000e+00 8.3933e-01 3.0371e-01 8.0132e-03 4.6150e-02 -6.0000e+00 9.0673e-01 -4.1834e-01 7.6291e-03 2.8773e-02 -6.0000e+00 5.4116e-01 1.7161e-01 3.5428e-03 1.2715e-02 -6.0000e+00 2.3032e-01 2.4179e-04 -1.6353e-03 7.8222e-05 2.3462e-04 -6.0000e+00 1.6597e-02 2.4959e-03 -1.2958e-04 12 8 8 10 0 0 99.86 21.44 0.24 0.00250 -0.00979 170 41 1 5 0 285.250 25.90 20.01 21.44 23.99 40.0 1012.35 -186411 -125292 -164040 -155754 -317627 -171055 -183379 -123175 -136414 -133951 -182270 -98588 -134320 -70591 -74605 -47702 -66311 -14449 -60382 -15561 -39980 -7852 -38202 -31572 -45979 -15384 -46849 -18438 -42905 -48202 -14254 11512 673 21739 -3187 4447 4649 2914 13332 20077 10393 22639 22201 11539 20562 17876 22723 23710 16865 7820 20108 11716 25642 14913 16282 7974 9304 5984 10539 5550 11698 7396 14486 7987 10776 4560 6263 2675 6448 4078 4548 2409 2291 317 -27 -2098 2652 -3178 322 -31 -362 -1211 -1672 -2846 -926 -1600 246 -591 969 2 -342 -1188 -2233 -2297 -1299 -1187 -1401 558 465 -624 -851 -2442 -3708 -472 -1006 -2182 -1768 -552 -978 290 726 193 -83 136 -603 -326 411 160 1050 1303 501 639 1163 1163 1626 1044 -1218 746 1107 533 585 -377 -559 -297 464 -253 -629 340 444 -155 -237 -1227 -2194 -905 -1843 -1500 -13053 -1784 -2256 -890 -1204 -1218 -2925 -870 -2299 -850 -1197 -702 -1330 -193 -1357 -233 -759 -107 -736 -591 -1021 -259 -1090 -326 -1044 -1483 -393 289 22 581 -105 143 168 126 621 1004 569 1173 1225 730 1235 1152 1464 1620 1325 742 1912 1342 2787 1947 2170 1189 1380 899 1486 839 1795 1345 2811 1698 2294 1029 1446 680 1795 1309 1541 846 771 101 -8 -573 689 -950 110 -13 -172 -662 -911 -1668 -570 -1044 164 -402 639 1 -204 -692 -1327 -1502 -978 -1045 -1327 588 514 -678 -859 -2430 -3533 -455 -1040 -2218 -1933 -651 -1303 430 1100 305 -130 208 -894 -476 617 252 1722 2144 805 981 1727 1778 2409 1517 -1816 1130 1914 1037 1171 -810 -1282 -684 1129 -640 -1615 875 1113 -368 -565 -2806 SS 20240921T114101.3Z 9030.486821 253 1 28.83 2 79.17 99.13 55.75 266.42 0.00 1 0.00 1 0 25 4.406e-01 1.064e-02 6.521e-02 1.957e-03 6.688228e-01 1.097446e-03 7.754551e-03 -6.000000e+00 2.668140e-01 228.47 -2.00 3.52 -2.00 320.85 0.00e+00 3.032311e-03 4.964318e-04 1.915141e-03 -6.000000e+00 1.195001e-02 286.83 -2.00 20.00 -2.00 320.23 0.00e+00 5.123 0.002 302.00 328.00 3 9.6132e-01 3.6105e-03 6.2641e-02 -6.0000e+00 6.6282e-01 5.0930e-02 4.7822e-03 3.6951e-02 -6.0000e+00 7.1604e-01 -7.4233e-02 4.5225e-03 1.9453e-02 -6.0000e+00 4.2736e-01 2.5429e-02 2.1895e-03 6.1501e-03 -6.0000e+00 1.8189e-01 6.0940e-04 -1.0185e-03 5.7370e-05 8.9284e-05 -6.0000e+00 1.3106e-02 2.4119e-03 -1.2419e-04 12 9 9 12 1 1 99.90 21.45 0.13 0.00241 -0.00524 135 55 1 5 0 211.920 25.90 19.98 21.45 24.06 40.1 1012.31 -156704 -156985 -125052 -148131 -251152 -137355 -170246 -83819 -119290 -90907 -106681 -63000 -78427 -47296 -60020 -20658 -44278 -12956 -36970 -11083 -32171 8577 -15780 -3773 -14604 -4439 -21678 -9955 -16079 -15948 -13620 -608 -6989 4449 -10812 -1790 -4611 1140 1248 3417 3044 3345 4129 1606 1836 3910 5519 3463 3442 2847 6264 6245 5846 3226 3805 1766 2594 1108 2482 -33 1969 1807 3638 3123 3847 29 1418 -529 2613 2054 1472 521 505 375 -121 -1762 -114 -2332 -242 -702 -1072 -1399 -1622 -2259 -613 -657 225 5 976 763 251 107 -1155 -555 386 189 -422 1089 752 -576 -738 -2054 -2535 188 -224 -1717 -704 -744 -395 611 766 317 216 299 -291 -247 240 -130 856 621 -163 45 985 387 1070 580 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