File name: Pandora64s1_NewHavenCT_20241109_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241110T044401.9Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241109_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: 20241109 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 20241109T120708.4Z 9079.504959 58 1 48.30 2 85.08 117.90 154.36 30.56 0.00 1 0.00 1 0 25 5.688e-01 6.936e-02 1.948e-01 2.448e-02 9.243393e-01 1.436719e-02 1.380586e-02 -6.000000e+00 3.380582e-01 223.60 -2.00 3.52 -2.00 321.35 0.00e+00 5.895877e-02 4.130783e-03 4.061262e-03 -6.000000e+00 1.504817e-02 280.83 -2.00 20.00 -2.00 320.86 0.00e+00 9.945 0.018 302.00 328.00 3 -4.6491e-01 4.3447e-02 1.3458e-01 -6.0000e+00 8.3216e-01 2.5506e+00 4.9227e-02 1.3935e-01 -6.0000e+00 9.0309e-01 -2.5248e+00 2.5558e-02 2.2251e-02 -6.0000e+00 5.3908e-01 8.9734e-01 1.4629e-02 4.7517e-02 -6.0000e+00 2.3046e-01 9.9875e-06 -5.4031e-03 6.3370e-04 7.5643e-04 -6.0000e+00 1.6903e-02 4.5119e-03 -1.4041e-04 12 8 8 10 0 0 -12.53 21.11 0.53 0.00451 -0.03609 26 6 1 5 0 1857.470 25.68 19.99 21.11 11.35 38.6 955.31 179166 189267 166954 178393 -53873 102143 66552 37093 75391 -3720 -58259 56117 23848 36904 134665 95531 119477 150566 98557 116465 147998 214212 900000 94720 -20037 -11873 -13940 -23643 -41050 36469 17496 54208 37982 95072 64554 15558 67266 29148 40260 8976 29316 6431 82737 -55308 -1572 22632 83069 32346 56433 -42191 53485 49024 139203 -10658 76659 -4046 14455 -18044 36506 -26043 615 4100 34087 -28997 83514 238 32705 55400 24230 25753 16701 23494 -3690 3882 -11211 -23497 46265 -1610 -12484 9652 -153 -10614 9243 4665 1825 -3917 16979 4955 8024 15290 -11695 3939 -25439 -14981 -11761 -1492 -5282 5753 2493 105 -923 5838 -9027 -6928 -10125 -4501 -8288 17919 -5922 1498 3304 -3563 -2100 2471 -3415 -2400 -1024 2441 -1282 3824 705 7305 4206 7880 3794 2430 -2206 5047 -1016 1161 -1406 -1701 -1071 -871 1222 -720 532 204 2477 -108 -1773 -2371 18268 18477 19558 15093 -28975 9750 6208 3299 3435 -299 -7330 2800 2483 4964 9056 11398 12182 11759 12401 11117 8669 5623 900000 4315 -2217 -1030 -1149 -2205 -5254 2769 2163 5527 5026 6806 5322 1890 5137 2909 3581 1090 2862 795 5528 -13918 -242 2897 6740 4210 6599 -12539 6498 6487 8304 -2566 7866 -772 2101 -3327 4094 -5085 100 738 5775 -9499 10164 59 5960 8990 5256 5978 4311 5505 -1041 901 -2651 -5658 6072 -342 -3602 2722 -55 -4766 3609 1963 824 -1929 6962 2300 3551 5971 -5556 1530 -13300 -7800 -7067 -981 -4297 4880 2353 99 -815 4230 -6854 -5170 -8259 -3623 -7516 13839 -6655 1656 4040 -4960 -2919 3228 -4605 -3184 -1397 3389 -1941 5528 1008 9254 5311 10120 4955 3179 -2791 6684 -1693 2179 -3039 -3998 -2685 -2331 3414 -2118 1556 604 7034 -295 -4595 -5776 SS 20241109T121853.6Z 9079.513120 61 1 48.13 2 83.15 119.95 153.17 35.94 0.00 1 0.00 1 0 17 4.698e-01 2.556e-02 2.179e-01 5.272e-03 8.393665e-01 3.057023e-03 9.903805e-03 -6.000000e+00 2.792567e-01 223.60 -2.00 3.52 -2.00 321.92 0.00e+00 2.599578e-02 1.708904e-03 1.438579e-03 -6.000000e+00 1.242729e-02 280.83 -2.00 20.00 -2.00 321.46 0.00e+00 7.671 0.008 302.00 328.00 3 1.8130e-01 1.1339e-02 9.3522e-02 -6.0000e+00 6.8741e-01 8.9627e-01 1.4726e-02 6.8417e-02 -6.0000e+00 7.4601e-01 -1.1669e+00 1.3252e-02 2.5245e-02 -6.0000e+00 4.4531e-01 4.8286e-01 6.2374e-03 2.6157e-02 -6.0000e+00 1.9028e-01 8.5869e-05 -3.0159e-03 1.4856e-04 3.6105e-04 -6.0000e+00 1.3956e-02 3.9531e-03 -1.4842e-04 12 8 8 10 0 0 5.82 21.11 0.23 0.00395 -0.01871 101 24 1 5 0 476.500 25.68 19.98 21.11 11.81 38.7 958.07 -76170 105 -22557 -65750 -233590 -55025 -107598 -88351 -48861 -110785 -134170 -29922 -92390 -26816 -11235 105369 46650 131076 3231 183400 32821 148191 126224 105300 -26958 30642 -43541 27156 -6052 -40937 11163 45725 32814 54639 21429 34075 23961 38991 28799 62397 46817 46081 40042 23935 35758 49986 63437 43135 36422 17257 42794 25766 58450 34553 34262 20805 15990 12469 30561 19108 18224 14669 25258 13499 32400 15227 21166 16320 15750 11569 12791 8962 6345 2759 1783 -237 7761 -4998 1210 657 1808 -1143 1258 -2404 -55 -1770 1291 -1696 875 -1176 -735 -1293 -4805 -5576 -4261 -3418 -3107 -395 -356 -388 -339 -1409 -5476 -1446 -2910 -3501 -3489 -1497 -2859 -1262 -541 -1277 -1296 -223 -1362 -587 357 571 1473 2098 1251 2172 2853 2469 2793 2246 -263 1282 1317 1203 1204 330 71 -52 375 -216 -621 187 -86 -321 -902 -2053 -1531 1 -295 -1168 -17410 -669 -2011 -1280 -502 -1864 -2947 -323 -2374 -489 -226 867 767 1011 83 943 641 838 843 812 -734 457 -1343 419 -143 -1530 350 1199 1113 1489 749 1051 874 1363 1258 2149 1997 2084 1852 1342 1855 2595 3033 2459 2366 1476 3160 2456 4288 3391 3378 2333 1846 1433 2856 2045 2129 2029 3623 2460 5072 2818 3828 3256 3547 2780 3183 2323 1595 659 422 -52 1596 -1175 321 212 670 -496 573 -1197 -29 -977 718 -982 488 -637 -373 -639 -2496 -3239 -2880 -2515 -2671 -380 -363 -385 -313 -1171 -4421 -1159 -2523 -3202 -3466 -1604 -3534 -1629 -772 -1926 -1969 -327 -1960 -831 521 870 2337 3325 1927 3162 4011 3619 3987 3164 -382 1909 2278 2359 2440 723 167 -131 1000 -596 -1740 523 -235 -827 -2193 -4755 SS 20241109T122911.8Z 9079.520276 64 1 48.43 2 81.49 121.79 152.00 40.33 0.00 1 0.00 1 0 25 5.920e-01 1.383e-02 6.664e-02 2.192e-03 7.307563e-01 1.237271e-03 8.566604e-03 -6.000000e+00 3.519190e-01 223.60 -2.00 3.52 -2.00 321.33 0.00e+00 7.760783e-03 6.195331e-04 2.648140e-03 -6.000000e+00 1.565789e-02 280.83 -2.00 20.00 -2.00 320.83 0.00e+00 6.368 0.005 302.00 328.00 3 2.9375e-01 4.2546e-03 7.4608e-02 -6.0000e+00 8.6628e-01 2.1175e-01 5.8487e-03 4.0482e-02 -6.0000e+00 9.4007e-01 -2.7829e-01 5.8500e-03 2.4518e-02 -6.0000e+00 5.6116e-01 1.1240e-01 2.7593e-03 1.0851e-02 -6.0000e+00 2.3983e-01 3.4325e-04 -1.3150e-03 6.3738e-05 1.6485e-04 -6.0000e+00 1.7584e-02 3.1362e-03 -1.3321e-04 12 9 8 11 8 0 -18.23 21.12 0.19 0.00314 -0.00675 218 52 1 5 0 222.140 25.68 20.00 21.12 12.40 38.6 960.31 -207984 -197550 -185913 -194158 -283294 -191075 -176868 -180714 -135705 -167828 -152462 -135763 -117295 -90419 -50147 -65940 -40111 -20511 -45653 -31802 -31607 -35653 -30564 -48057 -31464 -33201 -33353 -36146 -27958 -48519 442 -6615 5012 -2818 -4600 -9217 4767 -2434 3451 3868 10818 7139 12392 3049 12476 8604 12207 9951 8787 5484 14272 10934 13489 12346 10181 9122 6705 4673 6992 6612 5901 8262 7750 7265 7017 3816 3750 3309 3581 3469 1685 1710 331 697 -977 -1758 -140 -2876 -1008 122 -1604 -559 -1687 -2243 -1171 -1011 -115 -14 600 489 -784 -402 -2330 -1141 -566 -940 -874 742 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