File name: Pandora75s1_EssexMD_20250904_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250905T051452.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250904_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250904 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250904T111539.1Z 9378.469203 114 1 51.42 2 83.51 86.27 138.11 276.76 0.00 1 0.00 1 0 29 9.216e-01 4.457e-02 3.321e-01 1.538e-02 8.236676e-01 9.242524e-03 9.336856e-03 -6.000000e+00 5.713290e-01 230.17 -2.00 3.48 -2.00 322.06 0.00e+00 -6.561669e-03 5.486064e-03 1.885162e-02 -6.000000e+00 3.147363e-02 289.79 -2.00 20.00 -2.00 321.54 0.00e+00 7.996 0.009 302.00 328.00 3 1.8653e+00 3.8536e-02 1.5172e-01 -6.0000e+00 1.4310e+00 1.3086e+00 4.4437e-02 1.5857e-01 -6.0000e+00 1.5594e+00 -2.0142e+00 2.1159e-02 2.6049e-02 -6.0000e+00 9.1568e-01 8.5013e-01 1.1585e-02 2.8218e-02 -6.0000e+00 3.8162e-01 1.3318e-05 1.0044e-03 4.8996e-04 1.2419e-04 -6.0000e+00 3.0681e-02 1.1085e-02 -3.5773e-05 12 8 8 10 0 0 53.02 23.63 1.84 0.01108 0.01863 21 3 1 5 0 2448.240 26.32 20.00 23.63 28.52 7.1 1019.72 -45483 161033 900000 900000 29137 36367 247896 900000 55817 900000 32332 900000 900000 900000 900000 36774 137716 118950 65758 78178 261720 900000 900000 900000 86343 900000 226266 43545 65414 900000 65204 7377 900000 31753 203019 900000 327252 137607 900000 900000 45247 900000 178070 367977 36619 156548 33248 19589 40907 430956 277851 42566 34664 900000 126693 900000 40745 11830 14711 -56 26087 192007 17000 37617 19451 22490 69475 4996 54927 40755 7026 49471 -2182 -11304 24489 21443 7483 24421 6186 -18141 -2432 -6307 9013 5323 -12150 5224 -12567 -4732 -387 -2273 5201 13258 -4555 -13391 -15094 9712 3628 -6990 3060 925 -4058 -11699 -7104 -6292 -5905 -5549 -3271 4797 -963 -871 8394 325 -2420 -2670 -1578 5238 -203 -1103 1098 1242 5867 612 5865 1679 2358 -6241 5379 -8083 9067 3666 -1130 -750 -227 -729 350 -1461 -411 2272 -933 1586 -315 -227 -2867 -10474 4610 900000 900000 2097 2123 3703 900000 2653 900000 1844 900000 900000 900000 900000 2846 3927 4038 3661 3609 3909 900000 900000 900000 3166 900000 3380 1951 2132 900000 2302 511 900000 1811 3033 900000 4888 2803 900000 900000 3256 900000 3385 5497 2586 3508 2483 1668 2872 6437 4150 3624 3417 900000 5488 900000 4260 1590 1802 -8 2689 4015 2260 4439 2847 3158 6123 881 6482 6209 1616 7611 -544 -2854 3877 3139 1196 3429 1183 -5230 -701 -2157 2908 1908 -5535 2114 -6326 -2241 -173 -995 1989 4475 -1844 -6381 -8387 4947 2298 -5617 2395 739 -3213 -9139 -4966 -4417 -4392 -4385 -2717 4034 -966 -997 9805 441 -3444 -3757 -2133 6525 -273 -1577 1616 1867 8282 878 7735 2239 3032 -8558 6621 -12375 13368 5899 -2117 -1516 -490 -1694 859 -3813 -1083 5864 -2433 3818 -720 -489 -6237 SS 20250904T112902.9Z 9378.478506 120 1 51.38 2 80.92 88.38 140.54 279.24 0.00 1 0.00 1 0 17 4.869e-01 1.729e-02 8.855e-02 2.953e-03 6.972262e-01 1.640850e-03 9.375977e-03 -6.000000e+00 2.936451e-01 230.17 -2.00 3.48 -2.00 321.37 0.00e+00 7.902942e-03 8.793993e-04 9.734239e-03 -6.000000e+00 1.348654e-02 289.78 -2.00 20.00 -2.00 320.73 0.00e+00 6.003 0.004 302.00 328.00 3 1.4451e+00 6.0174e-03 8.4310e-02 -6.0000e+00 7.3098e-01 2.5789e-01 8.0219e-03 6.9539e-02 -6.0000e+00 7.9108e-01 -4.4661e-01 7.0553e-03 2.7991e-02 -6.0000e+00 4.7305e-01 1.8123e-01 3.2998e-03 5.2251e-03 -6.0000e+00 1.9758e-01 1.6294e-04 -2.0403e-04 8.7785e-05 2.1674e-04 -6.0000e+00 1.5100e-02 1.0428e-02 -2.2589e-05 12 9 8 11 8 0 -7.12 23.64 0.84 0.01043 0.00889 100 16 1 5 0 513.720 26.32 20.00 23.64 29.51 7.1 1025.60 -273260 -183200 900000 -94292 -124143 -191483 -142508 -178203 -160478 -98562 -103194 -82492 -96552 -52732 -47011 -74060 -38858 -42004 -57820 -44180 -15372 -14303 6759 -34365 -6231 -43164 -41445 -47484 -36529 40364 -8559 -22315 10916 -16442 -3414 -4880 3842 3895 30871 17662 7358 23421 15511 22038 8817 18431 12138 6396 9105 19508 9318 10851 12763 21036 11399 17683 7940 8268 1498 6322 6444 8928 7382 9764 9811 8384 9179 1213 6037 7466 6456 3753 2831 -1384 885 -1231 -2512 -833 -1711 -2214 -2237 -3425 -1901 -1188 -1414 -319 11 1091 861 -569 -134 -2444 -2413 -2954 -2782 -719 -60 -533 -333 -1060 -2061 -2171 -2706 -2416 -2425 -1812 -1486 15 272 1024 1530 404 -549 -124 -636 10 -198 179 678 1020 1325 1659 1661 1339 690 -124 522 -329 757 438 -199 -266 -293 -247 137 -27 191 559 -44 330 -402 -669 -1192 -11088 -3549 900000 -790 -1300 -3760 -1753 -3359 -2731 -955 -1108 -821 -1390 -635 -677 -1687 -783 -968 -1682 -1170 -310 -284 111 -891 -127 -1318 -1253 -1504 -1052 593 -244 -874 352 -743 -134 -194 152 178 1289 987 511 1491 1126 1549 724 1412 1021 593 868 1809 1060 1353 1713 2811 1773 2674 1347 1388 264 1056 1123 1676 1597 2300 2438 2115 2308 345 1805 2490 2380 1478 1110 -534 306 -394 -776 -262 -613 -943 -1117 -1794 -1078 -716 -915 -217 8 788 622 -402 -89 -1567 -1519 -1965 -2082 -614 -59 -552 -370 -1189 -2202 -2123 -2711 -2431 -2371 -1871 -1633 18 353 1479 2239 631 -872 -191 -942 14 -289 273 1086 1677 2150 2599 2516 1962 1063 -186 778 -487 1245 811 -378 -543 -637 -533 314 -65 470 1387 -109 776 -901 -1529 -2703 SS 20250904T114420.6Z 9378.489127 127 1 51.62 2 77.96 90.81 143.29 282.30 0.00 1 0.00 1 0 17 2.989e-01 9.372e-03 2.347e-02 1.063e-03 5.711028e-01 5.714217e-04 6.731485e-03 -6.000000e+00 1.802823e-01 230.17 -2.00 3.48 -2.00 320.31 0.00e+00 1.928792e-03 2.169623e-04 3.064643e-03 -6.000000e+00 8.167855e-03 289.78 -2.00 20.00 -2.00 319.56 0.00e+00 4.647 0.002 302.00 328.00 3 1.1497e+00 1.7647e-03 5.6595e-02 -6.0000e+00 4.4879e-01 1.0374e-02 2.1947e-03 3.4508e-02 -6.0000e+00 4.8567e-01 -7.8504e-02 1.8568e-03 1.5976e-02 -6.0000e+00 2.9029e-01 2.4787e-02 9.3082e-04 3.9828e-03 -6.0000e+00 1.2091e-01 9.1967e-04 -6.3835e-05 3.2231e-05 7.1387e-05 -6.0000e+00 9.2591e-03 9.7635e-03 -7.0388e-07 12 8 8 10 0 0 24.26 23.64 0.55 0.00976 0.00928 271 44 1 5 0 190.450 26.32 20.00 23.64 30.16 7.1 1029.46 -149727 -96874 -74980 -90436 -100894 -110955 -101170 -92571 -83766 -77968 -70440 -63514 -45722 -55445 -40495 -32984 -20946 -25765 -21643 -18277 -12487 -10174 -12553 -14936 -12851 -5637 -18721 -16634 -17678 -12878 -7595 -9799 -4758 -11668 -8665 -8187 -5616 -3828 1535 1398 1541 2346 2028 2497 1284 3952 1270 1313 981 2303 1647 2243 3268 4275 3111 2745 1711 782 713 973 1642 3049 3788 3232 2396 1521 828 481 1541 2718 1897 2010 978 186 -71 -1718 -2365 -2657 -2613 -2420 -1743 -1958 -1989 -1536 -853 72 564 1059 842 796 291 -288 -817 -1146 -1100 -184 450 379 212 -649 -1186 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