File name: Pandora75s1_EssexMD_20250629_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250630T051935.1Z 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_20250629_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: 20250629 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 20250629T103905.5Z 9311.443814 77 1 50.87 2 81.05 67.27 121.61 33.15 0.00 1 0.00 1 0 17 6.865e-01 3.042e-02 2.452e-01 6.688e-03 6.842173e-01 3.742288e-03 1.139815e-02 -6.000000e+00 4.212435e-01 232.83 -2.00 3.48 -2.00 321.57 0.00e+00 1.984776e-02 2.075199e-03 1.547309e-02 -6.000000e+00 1.903893e-02 288.92 -2.00 20.00 -2.00 320.95 0.00e+00 6.083 0.004 302.00 328.00 3 2.5911e+00 1.4208e-02 1.0012e-01 -6.0000e+00 1.0557e+00 6.5003e-01 1.7625e-02 8.7828e-02 -6.0000e+00 1.1403e+00 -1.0374e+00 1.2646e-02 3.1259e-02 -6.0000e+00 6.7805e-01 4.4303e-01 5.9960e-03 5.2773e-03 -6.0000e+00 2.8104e-01 4.4222e-05 -1.7966e-04 2.0343e-04 4.1017e-04 -6.0000e+00 2.1508e-02 9.7482e-03 -1.4660e-05 12 9 8 11 8 0 63.41 23.50 0.99 0.00975 0.00840 30 5 1 5 0 1695.470 26.21 19.99 23.50 33.27 6.5 1057.27 -165447 37072 900000 289793 -30630 -38814 900000 -41937 -128309 243031 -6897 20616 37942 128870 48325 37484 -13220 -3268 23497 -12622 128955 353101 55742 25275 39340 61485 55224 -5226 9684 900000 43904 -9388 388483 39511 113521 139705 61943 6731 106277 55793 23917 98252 78041 81167 20538 39587 41366 47918 41981 64827 37826 20937 43929 72750 36836 49215 14104 14089 3218 10890 19296 25258 11314 22055 21141 14134 20844 12473 17600 15131 3135 15910 3330 -3025 2966 -1229 418 4804 -5064 -7000 -2796 -4098 -2514 -201 -2942 -2705 -2223 1421 -912 -1320 -3317 -3139 -3430 -7052 -4351 -2127 -751 -2841 -256 -1285 -2414 -5460 -4856 -3355 -4622 -3320 -2324 -177 -264 1137 2432 -911 28 -1356 -531 868 -1011 332 518 1568 2601 2477 3163 1613 1897 143 2599 -1547 3513 632 48 540 -101 -31 41 -584 163 975 -811 655 -872 -528 -2610 -16962 571 900000 1889 -780 -943 900000 -920 -6463 1584 -98 244 472 840 888 911 -595 -143 822 -636 1528 2302 1222 719 933 1130 1047 -177 316 900000 1345 -581 2532 1751 2294 2095 2100 439 2910 2837 1809 3715 3765 3915 1861 3045 3209 3592 3475 4522 3748 2675 4782 6260 4658 5518 2225 2167 537 1682 2880 3935 2294 4457 4520 3215 4402 2952 4302 4241 1073 4937 1146 -1039 874 -342 109 1237 -1631 -2724 -1219 -2054 -1355 -113 -1809 -1760 -1508 955 -627 -879 -2119 -1888 -2023 -4524 -3066 -1559 -636 -2807 -266 -1353 -2428 -5174 -4270 -2925 -4327 -3266 -2424 -196 -326 1553 3615 -1355 42 -1980 -805 1271 -1539 525 792 2450 3995 4030 4945 2471 2792 208 3672 -2428 5891 1123 95 1129 -226 -67 95 -1431 405 2436 -2039 1554 -1979 -1227 -6093 SS 20250629T105532.3Z 9311.455235 85 1 51.45 2 78.10 69.66 119.91 37.16 0.00 1 0.00 1 0 17 3.372e-01 1.127e-02 5.538e-02 1.779e-03 5.914066e-01 9.685935e-04 7.172947e-03 -6.000000e+00 2.054070e-01 232.83 -2.00 3.48 -2.00 320.54 0.00e+00 2.800305e-03 3.918131e-04 4.307196e-03 -6.000000e+00 9.182632e-03 288.93 -2.00 20.00 -2.00 319.81 0.00e+00 4.696 0.002 302.00 328.00 3 1.9961e+00 3.0777e-03 5.9540e-02 -6.0000e+00 5.1489e-01 2.7617e-02 3.8935e-03 4.0358e-02 -6.0000e+00 5.5614e-01 -1.1517e-01 3.3637e-03 1.8228e-02 -6.0000e+00 3.3149e-01 4.2375e-02 1.6570e-03 4.2154e-03 -6.0000e+00 1.3721e-01 3.6490e-04 7.8872e-05 5.3854e-05 9.3095e-05 -6.0000e+00 1.0455e-02 9.3182e-03 9.2370e-06 12 8 8 10 0 0 33.68 23.50 0.69 0.00932 0.00991 116 19 1 5 0 443.500 26.21 19.99 23.50 34.41 6.5 1065.08 -214880 -94669 -23414 -23919 -112129 -113754 -97072 -104674 -113906 -98633 -66915 -81774 -49150 -62921 -44539 -35667 -49324 -31645 -31720 -30139 -13303 -3053 -5292 -10056 -15022 -13309 -26900 -23740 -22753 -6827 -9141 -14664 6477 -9892 -4840 -5614 -474 -9091 6922 937 -1571 6048 3181 5420 1809 5008 4605 2137 1455 5188 3232 4000 4985 7212 3767 4451 2260 652 -818 -712 2444 2246 3734 4326 2457 1592 737 1364 1634 2453 1392 3376 630 -104 104 -739 -2580 -2228 -3454 -2723 -1805 -2556 -1823 -1330 -607 -116 478 1706 1168 427 149 -477 -1434 -1010 -1262 24 595 156 184 -841 -1143 -2289 -1601 -1242 -1199 -1286 -596 -153 573 1092 1136 458 51 -103 -535 96 43 401 579 438 856 890 1135 707 584 -558 -97 -295 286 -38 -453 -378 -250 -228 -88 106 315 432 163 313 -340 -537 -684 -6336 -985 -129 -132 -1414 -1435 -1212 -1580 -2114 -1711 -905 -1447 -767 -1419 -1035 -903 -1626 -966 -1051 -1040 -402 -85 -157 -337 -568 -522 -1232 -1038 -983 -269 -425 -844 344 -661 -306 -361 -32 -784 616 105 -204 786 448 770 272 744 702 344 246 903 631 860 1164 1784 1024 1253 668 196 -246 -214 739 677 1243 1577 951 614 285 541 709 1195 752 1869 356 -56 52 -338 -1133 -989 -1718 -1566 -1093 -1764 -1367 -1062 -516 -105 415 1505 1034 367 131 -395 -1161 -840 -1165 23 656 180 227 -1046 -1346 -2698 -1766 -1383 -1418 -1499 -733 -202 817 1597 1804 716 80 -165 -820 142 65 624 950 698 1356 1464 1803 1086 863 -804 -137 -440 470 -64 -845 -704 -489 -474 -183 231 703 977 367 676 -704 -1128 -1421 SS 20250629T110653.6Z 9311.463120 88 1 51.73 2 76.03 71.29 118.63 39.83 0.00 1 0.00 1 0 17 1.955e-01 8.845e-03 1.836e-02 1.047e-03 5.218065e-01 5.633161e-04 6.114220e-03 -6.000000e+00 1.190755e-01 232.83 -2.00 3.48 -2.00 319.89 0.00e+00 1.888403e-03 1.829023e-04 2.312738e-03 -6.000000e+00 5.322656e-03 288.93 -2.00 20.00 -2.00 319.11 0.00e+00 4.046 0.001 302.00 328.00 3 1.7555e+00 1.6651e-03 4.9740e-02 -6.0000e+00 2.9849e-01 -6.4200e-03 2.0095e-03 2.9984e-02 -6.0000e+00 3.2239e-01 -5.3450e-02 1.6029e-03 1.4378e-02 -6.0000e+00 1.9216e-01 1.6443e-02 8.1460e-04 3.7342e-03 -6.0000e+00 7.9550e-02 9.2213e-04 1.8783e-04 3.2244e-05 5.9332e-05 -6.0000e+00 6.0596e-03 8.7939e-03 2.2927e-05 11 8 0 10 0 0 2.85 23.50 0.55 0.00879 0.01021 202 33 1 5 0 256.050 26.21 20.00 23.50 35.35 6.5 1071.29 -113356 -64026 -41751 -44696 -65379 -76002 -55746 -67878 -45681 -48408 -42329 -47822 -31421 -37584 -21757 -16562 -18389 -14722 -10012 -7690 788 -4238 -6037 -9326 -9141 -6269 -12611 -11703 -11988 -7695 -3876 -7076 747 -5810 -6609 -6273 -2642 -3670 1195 220 -802 1109 1536 2677 756 2290 382 316 51 2297 1239 1764 2632 2747 2923 2007 1922 579 134 647 1502 2852 2997 3096 1763 805 551 441 1309 2200 1513 1642 872 72 -602 -1765 -2028 -2518 -2320 -2174 -1649 -2188 -1923 -1365 -537 46 478 1147 919 739 604 -88 -903 -1036 -963 -190 503 334 101 -589 -1278 -1653 -1235 -927 -1151 -1154 -689 -334 640 1078 937 495 236 -127 -441 -11 -38 324 416 431 633 660 887 602 458 -170 -69 67 208 -66 -411 -501 -267 -145 33 147 459 415 87 246 -339 -665 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