File name: Pandora32s1_GreenbeltMD_20241113_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241114T051233.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241113_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20241113 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20241113T122237.0Z 9083.515706 190 1 49.47 2 84.89 118.37 123.66 317.97 0.00 1 0.00 1 0 25 3.576e-01 3.880e-02 1.963e-01 2.145e-02 8.735238e-01 1.164185e-02 9.914413e-03 -6.000000e+00 2.010252e-01 223.69 -2.00 3.47 -2.00 321.82 0.00e+00 -1.283664e-02 3.722440e-03 3.650609e-03 -6.000000e+00 8.953559e-03 281.64 -2.00 20.00 -2.00 321.27 0.00e+00 9.672 0.016 302.00 328.00 3 2.8677e-01 3.6681e-02 1.1011e-01 -6.0000e+00 4.9517e-01 1.5644e+00 4.2726e-02 6.4844e-02 -6.0000e+00 5.3874e-01 -2.1326e+00 2.4518e-02 2.1593e-02 -6.0000e+00 3.2180e-01 8.7555e-01 1.4361e-02 1.4508e-02 -6.0000e+00 1.3830e-01 1.3596e-05 -1.3855e-03 5.7055e-04 1.5683e-04 -6.0000e+00 9.5162e-03 7.8722e-03 -1.7099e-04 12 8 8 10 0 0 4.32 19.77 2.52 0.00787 -0.00254 27 6 1 5 0 1832.030 24.86 19.97 19.77 6.27 5.2 898.73 220066 54107 28034 15046 -6812 -52915 10189 -33860 42858 14512 -32034 -53527 34845 6604 79253 41515 -21 7134 3702 22320 15960 -709 26612 -30212 36795 23651 73982 44816 -11194 -43926 4232 -35057 65671 -26246 -4928 -44049 -34353 13576 -16355 106648 45221 81252 59037 29935 72272 97866 23793 77694 18138 15342 25178 20592 42529 79381 21554 42386 67515 30466 33435 12033 45376 -27761 19702 12287 11752 40935 14988 19064 21558 40298 15396 3534 17306 23857 -14868 -24229 4412 -7195 -27745 -4541 -16179 9053 -18524 9056 19181 4919 24536 -2538 1332 -7448 1515 31132 -6276 -8934 3502 421 -3060 -2578 1847 -267 -3509 -5234 -12172 -5235 -4796 -652 -1604 -1642 -4392 -1569 -859 3600 439 -1540 2124 -1443 -2819 529 4187 -202 1021 317 5194 1671 2455 478 2876 -1245 1463 2471 1078 -3430 -701 -772 988 970 304 -1975 1176 1609 -206 -1684 -1441 4603 5967 3678 1888 -829 -8452 833 -4571 2852 1297 -4386 -8855 2518 691 4370 3552 -3 855 443 2080 1457 -69 1872 -3964 2659 1979 3517 2471 -915 -4594 290 -4000 2997 -3094 -431 -5109 -3593 1079 -1897 4684 4067 5268 4692 3005 4384 4299 2090 3900 1669 1508 2422 2283 4092 5645 2885 4787 6072 3887 3846 1560 3986 -5226 2555 1927 1991 5137 2382 2991 3607 6406 3478 939 3945 4740 -3887 -6081 757 -1385 -7254 -1121 -5347 2708 -8214 3277 6660 2089 8981 -1253 630 -3708 646 9311 -2665 -4073 1604 235 -2086 -2038 1572 -241 -3134 -4281 -9547 -3723 -3621 -508 -1335 -1477 -4529 -1821 -1039 4620 609 -2184 2819 -1920 -3806 723 5851 -309 1528 457 7496 2439 3471 671 3826 -1792 2139 4201 2108 -7682 -1636 -1943 2638 2751 891 -5986 3443 4512 -546 -4158 -3352 SS 20241113T123508.5Z 9083.524404 193 1 48.45 2 82.78 120.47 125.12 321.09 0.00 1 0.00 1 0 17 4.361e-01 1.983e-02 7.710e-02 4.201e-03 7.456922e-01 2.242190e-03 8.640705e-03 -6.000000e+00 2.450853e-01 223.69 -2.00 3.47 -2.00 321.60 0.00e+00 7.741615e-03 1.139100e-03 3.387920e-03 -6.000000e+00 1.091678e-02 281.64 -2.00 20.00 -2.00 321.09 0.00e+00 7.333 0.007 302.00 328.00 3 3.1614e-01 7.9031e-03 8.2613e-02 -6.0000e+00 6.0370e-01 5.7886e-01 1.0362e-02 4.0813e-02 -6.0000e+00 6.5687e-01 -8.2982e-01 9.1320e-03 2.3360e-02 -6.0000e+00 3.9236e-01 3.4779e-01 4.3532e-03 9.4347e-03 -6.0000e+00 1.6859e-01 1.3960e-04 -1.3177e-03 1.1262e-04 1.4919e-04 -6.0000e+00 1.1606e-02 8.2023e-03 -2.1819e-04 12 8 8 10 0 0 3.08 19.80 0.79 0.00820 -0.00170 105 25 1 5 0 461.380 24.96 21.35 19.80 6.42 5.2 900.22 -84163 -126084 -114143 -122513 -129855 -147205 -157755 -127037 -138266 -114429 -149866 -151746 -96875 -91901 473 -44483 -42289 -47483 -28751 -9259 -23005 -12586 -36871 -36082 -36558 -28958 -12011 -23805 -23053 -36195 6532 -19404 7852 31682 3231 6484 -8868 10178 15476 35309 33284 30060 13753 32537 27112 34458 25526 32649 18973 21721 21491 25890 25618 30938 26329 24900 21634 13316 12372 12412 10033 12191 11105 13431 13331 10174 14268 9412 10246 8700 7550 7078 4579 5225 -626 -419 -1888 -2371 -3112 -1368 1096 -1283 -3226 -1455 -242 -829 -144 131 -1015 -190 -973 -726 -2696 -3407 -2248 -3882 -1336 -977 -1766 -1348 -1429 -2157 -2859 -1538 -2651 -1881 -1437 -2154 -548 -586 -956 -138 -42 -337 149 -69 -204 136 774 -45 1511 1345 1472 1949 1863 1763 1098 876 1015 565 716 207 257 530 199 -246 -162 -34 -145 86 -226 -991 -1758 -1345 -3287 -2806 -3148 -3458 -4161 -4847 -3019 -3909 -2625 -4912 -5409 -2461 -2899 8 -1349 -1421 -1829 -978 -266 -754 -356 -1299 -1301 -1378 -1032 -359 -770 -718 -1349 187 -882 318 1103 144 263 -432 467 805 1779 1923 1921 1082 2173 1922 2301 1903 2341 1632 1931 2104 2715 2960 3663 3452 3417 3129 2073 1870 1810 1513 1953 2056 2784 2741 2164 3139 2019 2374 2356 2308 2288 1509 1615 -187 -111 -468 -652 -873 -453 423 -587 -1681 -797 -139 -510 -93 87 -689 -124 -604 -421 -1532 -2000 -1464 -3024 -1096 -930 -1898 -1493 -1511 -2064 -2472 -1279 -2377 -1792 -1442 -2339 -646 -788 -1349 -211 -66 -521 219 -98 -289 201 1208 -74 2451 2103 2200 3054 2831 2596 1572 1295 1565 1013 1435 419 551 1209 489 -644 -435 -85 -368 226 -559 -2300 -3913 SS 20241113T124556.5Z 9083.531904 196 1 48.65 2 80.99 122.33 126.30 323.88 0.00 1 0.00 1 0 17 4.405e-01 9.862e-03 4.638e-02 1.788e-03 6.440772e-01 9.350178e-04 7.392331e-03 -6.000000e+00 2.476130e-01 223.69 -2.00 3.47 -2.00 320.96 0.00e+00 4.119213e-03 4.176009e-04 1.856228e-03 -6.000000e+00 1.102826e-02 281.64 -2.00 20.00 -2.00 320.40 0.00e+00 6.050 0.004 302.00 328.00 3 3.0178e-01 3.0213e-03 6.8294e-02 -6.0000e+00 6.0993e-01 1.4207e-01 4.0146e-03 3.4357e-02 -6.0000e+00 6.6359e-01 -2.0200e-01 3.9458e-03 1.9066e-02 -6.0000e+00 3.9637e-01 7.9851e-02 1.9237e-03 6.9524e-03 -6.0000e+00 1.7036e-01 5.4698e-04 -8.9164e-04 4.8805e-05 8.8977e-05 -6.0000e+00 1.1722e-02 6.8143e-03 -2.0702e-04 12 8 8 10 0 0 12.36 19.82 0.53 0.00681 0.00011 225 53 1 5 0 216.190 24.96 18.70 19.82 7.01 5.2 903.23 -113006 -153890 -130622 -134057 -156556 -149801 -166920 -146890 -143669 -114259 -119002 -120680 -96225 -90902 -44673 -50458 -44688 -31174 -36167 -10868 -24118 -18836 -21129 -35162 -14501 -27591 -8260 -24639 -31851 -20469 -15074 -1448 -4967 -1963 -13900 -11606 1062 -4765 1662 1200 2420 5202 1612 8984 4291 9232 3123 6397 7542 3252 8560 5107 7732 6103 6073 7327 4285 3820 774 2546 2553 3393 5595 4370 3964 2349 2980 2425 2156 3161 1521 2158 728 948 -549 -1373 -748 -2788 -1584 -1851 -1460 -1124 -2734 -1958 -1686 -900 -370 24 480 434 176 -161 -744 -610 -900 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