File name: Pandora75s1_EssexMD_20240511_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T094431.5Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240511_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: 20240511 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 20240511T110032.8Z 8897.458713 73 1 51.46 2 79.00 75.57 101.99 38.01 0.00 1 0.00 1 0 17 6.570e-01 1.381e-02 1.742e-01 3.340e-03 8.078612e-01 1.884309e-03 9.726934e-03 -6.000000e+00 4.005130e-01 230.93 -2.00 3.48 -2.00 321.44 0.00e+00 6.072099e-03 1.019649e-03 7.544564e-03 -6.000000e+00 1.787451e-02 284.27 -2.00 20.00 -2.00 320.89 0.00e+00 5.050 0.002 302.00 328.00 3 2.3098e+00 6.8062e-03 7.4578e-02 -6.0000e+00 1.0006e+00 2.4674e-01 9.7194e-03 6.1079e-02 -6.0000e+00 1.0833e+00 -3.1323e-01 9.8615e-03 3.2131e-02 -6.0000e+00 6.4311e-01 1.1933e-01 4.5357e-03 9.3588e-03 -6.0000e+00 2.6611e-01 1.3612e-04 1.4153e-04 9.3455e-05 2.2651e-04 -6.0000e+00 2.0497e-02 2.3212e-03 -2.5459e-05 12 8 8 10 0 0 99.89 23.48 0.57 0.00232 0.00338 100 16 1 5 0 514.560 26.21 20.00 23.48 16.56 4.2 943.65 -262043 -261959 900000 -208926 56621 -295193 900000 -248827 -164991 -236130 -197895 21218 -174675 -138931 -73011 -105787 -79133 -47044 -97014 -97000 2516 -3517 -18399 -68612 -40383 -27090 -61017 -80451 -45542 42510 -20503 -42478 26384 -21300 -14921 13193 -12737 8507 22539 9746 -2956 17827 4175 4667 1690 6411 16104 9647 15919 10969 11315 3294 10325 24294 12462 13691 5612 7109 -456 1680 1867 7448 4563 6676 7069 764 6517 2994 6756 3987 4753 5213 2300 2328 1533 -3346 -1801 330 -4389 -4520 -2492 -1428 -2329 -1045 -1323 980 -1114 1968 1289 -910 301 -1712 -747 -2471 -1405 -713 1299 -535 715 -529 -1283 -1643 -2097 -1135 -2392 -1402 -1247 -237 293 901 1799 395 540 -417 -1000 -488 -159 -48 106 361 1352 1105 1209 909 440 -24 -395 5 467 197 -462 -190 -461 -290 64 40 540 448 78 481 -587 -518 -832 -2948 -3567 900000 -1855 184 -5768 900000 -3536 -1123 -3565 -2226 69 -2379 -1769 -627 -1566 -1054 -515 -1924 -2243 22 -33 -210 -1385 -658 -406 -1311 -2096 -860 374 -414 -1314 481 -680 -447 301 -411 260 727 425 -167 888 253 292 112 418 991 669 1114 886 1024 365 1183 2650 1635 1855 844 1049 -71 253 291 1215 877 1420 1605 188 1539 774 1868 1288 1672 1899 849 806 487 -1012 -512 96 -1524 -1877 -1197 -779 -1288 -611 -828 635 -770 1349 883 -614 188 -1039 -444 -1585 -1013 -599 1252 -551 786 -591 -1357 -1725 -2037 -1084 -2432 -1493 -1413 -265 362 1253 2759 604 837 -638 -1603 -758 -250 -79 167 578 2101 1789 1877 1362 636 -33 -557 8 792 350 -916 -377 -976 -654 153 100 1282 1073 197 1155 -1333 -1106 -1747 SS 20240511T110601.1Z 8897.462513 76 1 51.29 2 77.97 76.38 101.36 39.00 0.00 1 0.00 1 0 17 5.221e-01 1.374e-02 1.632e-01 3.732e-03 7.492834e-01 2.094864e-03 8.709787e-03 -6.000000e+00 3.183537e-01 230.93 -2.00 3.48 -2.00 321.12 0.00e+00 3.263211e-03 1.014592e-03 4.995171e-03 -6.000000e+00 1.451219e-02 284.27 -2.00 20.00 -2.00 320.53 0.00e+00 4.652 0.002 302.00 328.00 3 3.0700e+00 7.0710e-03 6.5024e-02 -6.0000e+00 7.9517e-01 1.8761e-01 9.6608e-03 4.8762e-02 -6.0000e+00 8.6095e-01 -2.3778e-01 9.5276e-03 2.4744e-02 -6.0000e+00 5.1120e-01 9.1920e-02 4.4953e-03 6.8662e-03 -6.0000e+00 2.1213e-01 9.9480e-05 3.1467e-05 1.0756e-04 1.4774e-04 -6.0000e+00 1.6452e-02 2.2794e-03 -5.7151e-05 12 8 8 10 0 0 99.95 23.48 0.55 0.00228 0.00252 41 7 1 5 0 1250.920 26.21 20.00 23.48 16.70 4.2 944.88 -284982 -216915 900000 900000 -74260 -175166 900000 -194738 -169487 -173995 -62924 -109956 -129356 -51742 -98634 -72196 -96384 -43470 -86936 -92361 18280 47508 -39513 -27925 -46644 -20209 -67637 -67414 -13951 23045 11529 -40581 20043 -1232 9860 33110 6622 -6245 16445 22901 -2628 15311 7390 7358 764 14696 9045 11068 1677 10919 5102 -2298 10675 15288 12620 12628 2143 601 -16 -1162 1559 9007 4645 5438 3202 -2207 -699 914 4153 3538 3421 3026 2387 -809 993 256 -1338 1704 -3900 -4350 -1204 -1121 -2516 -845 -1322 484 -532 1830 590 -648 1699 -735 -462 -2497 -2395 742 1556 -616 1000 -173 -1175 -2250 -995 -1367 -2642 -2003 -1679 -161 -195 1405 1508 727 12 -948 -737 47 -613 208 401 185 1259 1262 1104 1007 126 93 -104 855 161 143 -264 -620 -369 -188 -34 77 238 862 -226 633 -218 -871 -786 -6220 -2869 900000 900000 -270 -1564 900000 -2511 -1906 -2244 -291 -945 -1711 -411 -1598 -1208 -2384 -712 -2403 -2856 193 380 -790 -538 -1171 -412 -2263 -2231 -274 344 231 -1653 518 -43 305 819 234 -295 754 1175 -198 1047 578 594 67 1155 776 974 173 1116 618 -337 1522 2274 2061 2159 418 119 -3 -226 305 1799 1100 1432 917 -672 -212 286 1393 1355 1440 1333 1045 -344 379 89 -450 573 -1566 -2078 -594 -632 -1586 -561 -942 359 -417 1432 465 -497 1195 -502 -309 -1790 -1931 675 1495 -688 1184 -208 -1338 -2355 -952 -1309 -2700 -2151 -1911 -195 -262 1922 2277 1172 20 -1526 -1133 70 -923 324 653 309 2046 1974 1662 1459 177 136 -152 1216 260 259 -491 -1243 -783 -396 -76 180 566 2056 -537 1420 -463 -1886 -1667 SS 20240511T111153.2Z 8897.466588 79 1 50.92 2 76.86 77.26 100.67 40.04 0.00 1 0.00 1 0 17 4.535e-01 1.665e-02 2.348e-01 5.030e-03 6.950257e-01 2.812047e-03 7.946287e-03 -6.000000e+00 2.764060e-01 230.93 -2.00 3.48 -2.00 320.90 0.00e+00 2.162424e-03 1.259802e-03 3.492820e-03 -6.000000e+00 1.262897e-02 284.27 -2.00 20.00 -2.00 320.30 0.00e+00 4.288 0.001 302.00 328.00 3 3.9882e+00 9.1777e-03 5.8610e-02 -6.0000e+00 6.9034e-01 1.9084e-01 1.2091e-02 4.1754e-02 -6.0000e+00 7.4757e-01 -2.1873e-01 1.1524e-02 2.0747e-02 -6.0000e+00 4.4401e-01 8.6508e-02 5.5510e-03 5.6533e-03 -6.0000e+00 1.8425e-01 5.8469e-05 -2.9209e-04 1.4944e-04 1.0263e-04 -6.0000e+00 1.4338e-02 3.9714e-03 -9.8360e-05 12 8 8 10 0 0 99.57 23.48 0.36 0.00397 0.00178 15 2 1 5 0 3394.460 26.21 20.00 23.48 16.97 4.2 946.73 -202383 65537 900000 900000 107895 -193534 900000 31691 -190956 -43422 -174283 -36622 -102486 900000 -52418 -92572 -74068 -61791 -35001 -62413 -22577 144182 -3001 -20 -32223 -16983 -35350 -29601 -43590 177544 -14416 -26773 43948 -14511 30906 21690 -2486 -15503 36039 45737 -2397 32583 6578 12770 -6450 9552 6525 -3 565 10512 3982 845 9377 21849 14375 16185 8461 -7136 -2985 -7432 4421 13410 3444 -3192 4781 -5147 -3311 856 7944 2715 -188 6632 -3158 6447 801 -1156 -2132 3176 -4487 -7399 2059 -4366 -1832 -863 -971 -122 -821 1247 146 2293 458 1079 -1697 -1460 -3149 898 1491 -394 1657 656 -1649 -2537 -863 -1924 -2218 -2715 -1097 -374 -386 1346 2091 760 -76 -672 -1491 1420 -416 92 439 132 1060 563 592 756 146 164 -102 1650 965 -266 -743 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