File name: Pandora75s1_EssexMD_20240622_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T072933.9Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240622_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: 20240622 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 20240622T104719.5Z 8939.449531 207 1 52.12 2 79.18 68.49 100.74 241.33 0.00 1 0.00 1 0 17 5.764e-01 1.592e-02 2.796e-01 4.980e-03 6.337062e-01 2.793187e-03 8.433377e-03 -6.000000e+00 3.517631e-01 232.85 -2.00 3.48 -2.00 321.15 0.00e+00 5.124060e-03 1.373158e-03 7.797773e-03 -6.000000e+00 1.592666e-02 288.36 -2.00 20.00 -2.00 320.50 0.00e+00 5.126 0.002 302.00 328.00 3 3.2559e+00 9.6657e-03 7.1868e-02 -6.0000e+00 8.8186e-01 8.6133e-02 1.2972e-02 5.9515e-02 -6.0000e+00 9.5190e-01 -1.8270e-01 1.2143e-02 2.4124e-02 -6.0000e+00 5.6791e-01 6.5142e-02 5.7442e-03 4.6375e-03 -6.0000e+00 2.3655e-01 6.5004e-05 -1.4378e-04 1.5339e-04 1.5287e-04 -6.0000e+00 1.7985e-02 1.3945e-03 1.3063e-05 12 8 8 10 0 0 -9.08 23.60 1.30 0.00139 0.00031 30 5 1 5 0 1737.060 26.32 20.00 23.60 33.71 4.2 1054.22 -196642 -112755 900000 69809 -181436 -165272 -72415 -223486 -200639 9771 32049 223550 -101672 900000 113689 -61974 -52798 87916 -46185 -98005 284858 135853 -28010 -59338 19340 72439 -25307 -60069 -37200 900000 -616 -41310 64258 -11577 21416 34896 11250 5656 44535 25709 -3567 23902 23505 26453 3386 6010 1494 2641 -1640 2927 1347 -2011 13591 25158 11011 19449 1104 -2058 -3827 -3408 5292 16751 2942 2858 4489 3259 4113 2061 4606 735 3226 7095 -2120 -2633 -1941 257 244 213 -820 -5217 -1937 -3099 -1332 -558 -1834 -248 140 1623 1741 -653 1375 116 -1077 -2949 -1637 1067 993 -936 1193 -3047 -585 -2294 -1736 -1759 -2725 -1961 -1753 -264 874 323 2914 936 135 -581 434 1231 -168 583 -10 1050 594 295 1523 563 -189 -296 -921 -14 1163 109 409 -470 -267 -1128 -554 -72 -84 487 97 834 -242 -305 -401 -2864 -846 900000 339 -2802 -2115 -383 -5917 -4693 47 156 1085 -1436 900000 552 -1149 -1025 512 -1121 -4234 1383 659 -653 -2016 319 738 -700 -2333 -1156 900000 -17 -2005 1248 -517 686 982 437 272 1751 1448 -305 1682 1757 1990 329 584 156 282 -192 351 181 -311 1979 3542 1897 3210 225 -433 -806 -713 1056 3269 743 802 1305 956 1190 630 1505 283 1331 2952 -962 -1143 -771 91 81 72 -311 -2424 -1015 -1868 -788 -351 -1252 -177 105 1234 1323 -491 953 76 -698 -2013 -1225 895 963 -1049 1410 -3451 -667 -2443 -1720 -1752 -2904 -2203 -2090 -334 1098 454 4362 1501 218 -918 647 1765 -246 888 -16 1741 986 478 2359 849 -275 -418 -1293 -20 1867 197 744 -921 -551 -2498 -1206 -164 -197 1148 228 1877 -563 -676 -875 SS 20240622T105748.7Z 8939.456813 210 1 51.74 2 77.28 70.00 102.46 242.76 0.00 1 0.00 1 0 17 2.879e-01 9.915e-03 8.618e-02 2.323e-03 5.590786e-01 1.258371e-03 6.586344e-03 -6.000000e+00 1.755350e-01 232.85 -2.00 3.48 -2.00 320.46 0.00e+00 1.960732e-03 4.940173e-04 3.214845e-03 -6.000000e+00 7.822031e-03 288.36 -2.00 20.00 -2.00 319.73 0.00e+00 4.418 0.001 302.00 328.00 3 2.7888e+00 3.9415e-03 5.4917e-02 -6.0000e+00 4.4014e-01 -5.2685e-03 4.9580e-03 3.4992e-02 -6.0000e+00 4.7527e-01 -8.3116e-02 4.2724e-03 1.6276e-02 -6.0000e+00 2.8319e-01 2.6559e-02 2.1170e-03 4.0085e-03 -6.0000e+00 1.1729e-01 2.2532e-04 5.8691e-05 7.1788e-05 7.2306e-05 -6.0000e+00 8.9231e-03 1.8740e-03 1.3712e-05 12 9 8 11 8 0 -31.79 23.61 0.81 0.00187 0.00231 70 11 1 5 0 739.060 26.32 20.00 23.61 34.40 4.2 1058.49 -132520 -125527 51084 -27982 -99761 -109227 -60479 -108924 -127318 -46462 -53608 -54955 -53297 -52943 -18768 -43045 -23897 -6877 -20172 -43867 -9412 -7430 -18515 -15768 -18031 1934 -21515 -10874 -23684 2643 -6367 -21118 14369 -10144 -5433 741 -5756 -2181 5606 893 1052 8545 525 7404 -3411 2969 1853 2556 415 4327 3039 1304 3404 6392 3370 4469 1453 -500 141 -1107 1323 3374 1947 2461 2410 1120 367 1128 1448 2617 864 2779 -82 -888 -1549 -1560 -2041 -2008 -3147 -3250 -1599 -2022 -1989 -1214 -643 788 825 2076 1204 955 409 -454 -420 -1565 -981 -123 507 179 682 -788 -887 -1867 -1423 -1543 -1521 -1560 -700 -263 426 900 1222 412 210 -213 -387 165 23 371 319 535 613 754 685 528 370 -260 -90 338 370 62 -427 -471 -514 -336 -217 35 302 617 204 348 -303 -586 -477 -2020 -2094 158 -190 -1315 -1552 -617 -1839 -3201 -568 -753 -871 -1002 -1235 -383 -1326 -688 -184 -667 -1948 -307 -242 -705 -629 -792 74 -1058 -473 -1159 105 -314 -1406 762 -735 -374 48 -438 -188 542 108 143 1167 82 1110 -580 483 310 435 75 797 621 300 840 1657 956 1308 451 -159 44 -347 420 1145 680 940 959 445 145 454 633 1278 472 1564 -47 -494 -802 -735 -906 -894 -1553 -1859 -1040 -1369 -1474 -955 -539 695 765 1959 1146 880 356 -373 -332 -1280 -876 -124 538 214 870 -1018 -1086 -2126 -1519 -1667 -1747 -1902 -898 -334 584 1352 1851 655 334 -326 -604 247 34 584 495 861 989 1185 1119 833 561 -382 -130 508 610 106 -793 -869 -998 -690 -446 76 666 1379 455 749 -625 -1232 -989 SS 20240622T110753.0Z 8939.463808 213 1 51.79 2 75.45 71.44 104.12 244.11 0.00 1 0.00 1 0 17 1.589e-01 8.753e-03 2.566e-02 1.372e-03 4.994162e-01 7.364973e-04 5.843636e-03 -6.000000e+00 9.689779e-02 232.85 -2.00 3.48 -2.00 319.87 0.00e+00 1.623494e-03 2.373767e-04 2.118097e-03 -6.000000e+00 4.317925e-03 288.36 -2.00 20.00 -2.00 319.09 0.00e+00 3.895 0.001 302.00 328.00 3 2.4447e+00 2.1812e-03 4.7774e-02 -6.0000e+00 2.4296e-01 -3.3847e-02 2.6239e-03 2.8663e-02 -6.0000e+00 2.6236e-01 -3.6475e-02 2.0824e-03 1.3660e-02 -6.0000e+00 1.5632e-01 7.3430e-03 1.0592e-03 3.5274e-03 -6.0000e+00 6.4745e-02 5.5627e-04 -5.8230e-05 4.2894e-05 5.6423e-05 -6.0000e+00 4.9258e-03 1.7162e-03 9.1585e-07 11 9 0 11 8 0 25.71 23.61 0.57 0.00172 0.00128 124 20 1 5 0 417.560 26.32 20.00 23.61 34.82 4.1 1061.25 -75948 -46691 4250 -41539 -58342 -69131 -42253 -62278 -41511 -38871 -33577 -45574 -35879 -29970 -15794 -16666 -17690 -6796 -8370 -17640 -5301 -291 -8791 -7376 -6741 -3386 -10820 -9628 -7612 -1910 -3848 -9850 156 -5301 -7781 -4761 -4436 -1426 1433 132 -442 2377 1127 1851 -1556 1173 980 741 20 1025 1581 1201 2435 3604 2006 2895 845 -430 -169 711 963 2547 2951 2932 1580 1340 576 274 1048 2056 1490 2209 813 129 -236 -1412 -3441 -3491 -3092 -2200 -1991 -2195 -1690 -1175 -636 -199 603 1192 1347 753 804 65 -716 -858 -719 -51 454 381 320 -352 -1175 -1946 -1265 -1054 -1233 -1304 -847 -267 586 971 1070 665 329 -290 -319 -90 65 358 401 300 476 643 605 658 360 -4 -26 251 186 -25 -327 -451 -553 -239 -57 58 480 488 196 208 -234 -631 -589 -1266 -744 44 -673 -1054 -1360 -673 -1359 -828 -822 -715 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