File name: Pandora75s1_EssexMD_20250529_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250530T051153.9Z 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_20250529_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: 20250529 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 --------------------------------------------------------------------------------------- SU 20250529T103249.1Z 9280.439458 231 1 51.68 2 82.04 68.42 100.60 41.26 0.00 1 0.00 1 0 17 6.284e-01 3.401e-02 2.333e-01 7.182e-03 7.805393e-01 4.054946e-03 1.149369e-02 -6.000000e+00 3.842502e-01 231.95 -2.00 3.48 -2.00 321.73 0.00e+00 1.223441e-02 2.231880e-03 1.643216e-02 -6.000000e+00 1.751566e-02 285.96 -2.00 20.00 -2.00 321.17 0.00e+00 6.739 0.005 302.00 328.00 3 1.9719e+00 1.5362e-02 1.1379e-01 -6.0000e+00 9.6181e-01 9.7185e-01 1.8719e-02 1.0385e-01 -6.0000e+00 1.0405e+00 -1.4094e+00 1.2722e-02 3.2355e-02 -6.0000e+00 6.1805e-01 5.9446e-01 6.0665e-03 6.0384e-03 -6.0000e+00 2.5579e-01 3.7665e-05 -5.4526e-04 2.1091e-04 3.8584e-04 -6.0000e+00 1.9713e-02 9.5829e-03 -4.5756e-07 12 8 8 10 0 0 97.47 23.57 0.68 0.00958 0.00549 25 4 1 5 0 2066.980 26.32 19.99 23.57 21.75 6.2 982.76 -122226 46890 900000 290454 -12736 -65244 900000 -30150 -14694 192396 -64391 179775 900000 900000 53696 108665 8749 72057 51202 19317 194958 159101 167363 110729 34626 85824 17234 -31831 -29845 -71478 78490 -2352 142755 47427 70739 109837 98113 102951 130303 154991 14208 116399 108821 86103 19723 58130 42732 50982 36425 115893 52287 34163 68980 87453 54046 73605 41437 27594 14128 10448 28388 46072 25317 28564 13236 16713 14647 16409 25924 15809 11182 25605 4961 212 5486 -6859 1160 1875 -2949 -9501 -17 -2419 -1145 2949 -3188 1793 -1561 2191 59 -4941 -3060 -10064 -382 -9738 -5238 -612 -84 -4862 557 -1399 -3939 -4583 -6202 -5140 -6055 -5714 -2146 844 -1465 -86 2123 181 -1612 -2273 -364 1354 -719 -570 355 2942 3930 3074 4433 2369 1920 -1076 2122 -647 3576 1100 -208 1009 472 -978 -448 -429 -49 1323 -928 803 -685 -880 -2719 -14620 1134 900000 2033 -429 -3238 900000 -940 -383 1346 -2622 1258 900000 900000 1332 1798 429 1971 1759 897 1488 1620 1491 1691 1102 1584 603 -1721 -1557 -6094 1923 -138 2398 2124 2376 2383 2472 2738 3009 3146 1273 3910 4036 4037 1794 3621 3140 3532 3034 4623 4281 3658 5600 6243 5560 6285 4843 3592 2017 1514 3536 5256 4004 4858 2761 3357 3003 3434 5388 4072 3263 6648 1542 64 1424 -1815 269 448 -840 -3438 -7 -1092 -560 1478 -1807 1023 -962 1329 36 -3084 -1763 -5895 -201 -5950 -3483 -457 -67 -4643 547 -1406 -3834 -4088 -5212 -4271 -5366 -5366 -2084 869 -1725 -113 3046 282 -2386 -3321 -550 1971 -1089 -905 539 4470 6361 4841 6642 3498 2750 -1545 2948 -992 5961 1954 -414 2144 1074 -2227 -1080 -1079 -127 3370 -2379 1925 -1560 -2048 -6304 SU 20250529T103556.2Z 9280.441623 234 1 51.89 2 81.47 68.88 100.22 41.80 0.00 1 0.00 1 0 17 4.651e-01 2.566e-02 1.835e-01 4.119e-03 7.731524e-01 2.319623e-03 1.165282e-02 -6.000000e+00 2.843577e-01 231.95 -2.00 3.48 -2.00 321.58 0.00e+00 1.432648e-02 1.296623e-03 1.470969e-02 -6.000000e+00 1.273841e-02 285.96 -2.00 20.00 -2.00 321.02 0.00e+00 6.350 0.004 302.00 328.00 3 1.5182e+00 8.6677e-03 1.0155e-01 -6.0000e+00 7.1183e-01 6.1458e-01 1.1328e-02 8.9056e-02 -6.0000e+00 7.7006e-01 -8.7091e-01 9.7378e-03 3.5538e-02 -6.0000e+00 4.5719e-01 3.6137e-01 4.5140e-03 7.0407e-03 -6.0000e+00 1.8889e-01 8.9299e-05 -2.9172e-04 1.1770e-04 4.0344e-04 -6.0000e+00 1.4525e-02 9.5339e-03 7.4039e-06 12 8 8 10 0 0 61.67 23.57 0.66 0.00953 0.00734 53 9 1 5 0 978.990 26.32 20.00 23.57 21.73 6.2 982.78 -245731 22195 900000 183778 -104410 -180865 900000 -96440 -84151 -41502 -112676 -53448 33461 -42317 1836 -37078 -32801 67332 11050 -37977 106226 107335 86935 -8174 45978 45492 -31968 3355 9363 109318 21861 -5630 70299 15391 13487 63103 42102 40372 120183 35174 20150 58035 58192 47482 19272 32636 39667 44609 31311 57000 27325 29478 29092 49686 33024 40924 22014 15074 8490 4463 13410 19508 13780 21095 14776 13218 13766 8531 14207 9632 7775 13884 3047 83 -993 -5670 -5095 1059 -3713 -3320 -1349 -1099 -1445 -2058 -1194 -284 -1751 541 474 -2164 -1226 -5355 -2442 -5823 -5589 -1227 -833 -1270 721 -1254 -1813 -3528 -3457 -2588 -3911 -2702 -1658 -626 246 317 1252 150 -800 -1157 -1031 546 -573 306 1020 1463 2203 2496 3061 2118 1407 92 734 -631 1847 1074 13 -84 -456 -66 -96 35 28 657 -315 442 -624 -841 -2095 -16864 122 900000 738 -1829 -6206 900000 -1373 -1075 -348 -1974 -585 195 -695 25 -893 -862 713 218 -1248 896 862 838 -203 665 658 -988 71 192 922 535 -219 1468 587 509 1419 1234 1362 2123 1667 1222 2563 2687 2517 1385 2110 2469 2759 2339 3548 2524 2947 3178 4728 3872 4519 2944 2118 1238 672 1928 2922 2490 3973 3145 2872 2996 2045 3537 2827 2529 4388 1050 27 -302 -1637 -1395 284 -1196 -1272 -596 -554 -730 -1118 -685 -171 -1119 346 303 -1366 -721 -3112 -1496 -3556 -3877 -958 -761 -1337 739 -1315 -1965 -3538 -3209 -2379 -3846 -2788 -1812 -677 294 428 1864 240 -1209 -1859 -1596 814 -880 488 1701 2298 3667 3992 4690 3159 2038 131 1039 -971 3144 1926 25 -168 -979 -152 -235 90 69 1598 -763 1082 -1451 -1849 -4574 SU 20250529T103902.3Z 9280.443776 237 1 51.36 2 80.91 69.34 99.84 42.34 0.00 1 0.00 1 0 17 4.982e-01 2.194e-02 1.986e-01 4.113e-03 7.447772e-01 2.320955e-03 1.067017e-02 -6.000000e+00 3.024442e-01 231.95 -2.00 3.48 -2.00 321.50 0.00e+00 8.982415e-03 1.251903e-03 1.225292e-02 -6.000000e+00 1.385598e-02 285.96 -2.00 20.00 -2.00 320.93 0.00e+00 6.002 0.004 302.00 328.00 3 1.8477e+00 8.4026e-03 9.2168e-02 -6.0000e+00 7.5713e-01 4.0327e-01 1.1390e-02 8.2071e-02 -6.0000e+00 8.1883e-01 -5.8198e-01 1.0500e-02 3.3801e-02 -6.0000e+00 4.8796e-01 2.3964e-01 4.8504e-03 6.2849e-03 -6.0000e+00 2.0284e-01 9.5982e-05 -3.9966e-04 1.2012e-04 2.8847e-04 -6.0000e+00 1.5635e-02 1.0396e-02 -9.5466e-06 12 8 8 10 0 0 89.94 23.57 0.70 0.01040 0.00739 69 11 1 5 0 744.190 26.32 20.00 23.57 21.76 6.3 983.39 -290781 -86212 900000 900000 -136986 -185988 -108154 -161488 -130231 -83731 -114784 -22778 22979 -60283 -44242 -45949 -9068 -8996 -23202 -75439 181787 53250 46578 18633 -26276 67648 -64337 -990 -16932 124924 16871 -31989 42129 -6794 -3300 57238 48314 40328 90390 8463 13402 37696 39594 33301 -637 32710 22387 28946 14122 43670 15648 14604 22726 44098 25334 27230 12366 5302 9065 2302 9989 13304 13621 11294 10463 7740 9017 6479 10348 6454 4684 13884 2529 -1809 1351 -3431 -2054 -1317 -1406 -4081 -1504 -2245 -1746 -678 -586 -622 -904 289 1261 -980 -218 -4580 -3172 -4494 -4724 -1102 -552 171 632 -1649 -1833 -2973 -3426 -1894 -3090 -2322 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