File name: Pandora32s1_GreenbeltMD_20230727_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230730T102917.4Z 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 v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230727_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: 20230727 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 20230727T111002.8Z 8608.465310 71 1 49.10 2 78.78 74.28 158.12 322.74 0.00 1 0.00 1 0 17 4.532e-01 1.502e-02 1.900e-01 5.237e-03 6.089210e-01 2.841179e-03 7.362986e-03 -6.000000e+00 2.651437e-01 232.28 -2.00 3.47 -2.00 320.96 0.00e+00 7.189029e-03 1.286591e-03 3.664409e-03 -6.000000e+00 1.221994e-02 290.49 -2.00 20.00 -2.00 320.27 0.00e+00 4.960 0.002 302.00 328.00 3 3.2640e+00 9.5431e-03 6.0279e-02 -6.0000e+00 6.6442e-01 1.1943e-01 1.2539e-02 3.6450e-02 -6.0000e+00 7.1916e-01 -2.3009e-01 1.1429e-02 2.0423e-02 -6.0000e+00 4.2658e-01 9.3410e-02 5.5647e-03 7.2788e-03 -6.0000e+00 1.8132e-01 7.8798e-05 -8.4276e-04 1.4822e-04 1.1258e-04 -6.0000e+00 1.2435e-02 2.9346e-02 7.5282e-05 12 9 8 11 4 0 14.77 27.09 0.95 0.02935 0.02301 26 6 1 5 0 1888.190 31.41 25.00 27.09 30.81 3.1 1029.05 900000 -176010 -57216 -91897 900000 -179476 900000 105410 -112717 -78956 -161795 -103422 -90732 10079 38072 73203 -14 10904 34486 900000 -61822 -45054 21575 -19697 -16329 -3389 291889 4227 27030 -32952 78709 -47186 1979 -24523 1390 15899 -29855 23564 -29428 35381 -2606 12948 14605 14216 22986 20064 23823 48891 2668 12168 -1060 23458 9107 9712 6748 3613 2826 -4144 13318 -2212 12695 -1522 4176 3037 -423 1358 2245 1214 -1241 2474 -809 -3046 -1194 -1103 1078 -1322 -1442 1203 289 -1442 -2681 2788 -2019 -1752 2237 -862 -348 -506 1832 1464 2498 -2643 -2027 -1567 -1047 -362 -663 653 -641 -945 285 -3649 -653 -1488 -2069 193 -1017 240 -281 825 -583 1282 368 -477 1695 -249 156 75 685 373 128 331 1156 978 93 -732 209 -84 12 468 151 -307 -355 84 11 534 285 -1136 -107 104 257 66 -603 900000 -4541 -506 -1138 900000 -4497 900000 538 -1863 -1001 -4729 -1870 -1791 97 352 580 0 200 549 900000 -2729 -1683 429 -617 -525 -101 1490 117 592 -1362 1289 -3120 95 -1651 71 687 -2125 1173 -2926 2254 -268 1238 1449 1469 2234 2056 2418 4026 354 1553 -168 3285 1595 1824 1375 786 635 -995 2665 -504 2596 -387 1136 935 -143 446 709 392 -444 973 -363 -1464 -565 -500 445 -507 -513 416 110 -650 -1415 1581 -1305 -1193 1559 -655 -277 -416 1485 1164 1864 -1941 -1410 -1097 -797 -311 -646 705 -759 -1138 325 -3956 -641 -1471 -2179 211 -1173 289 -364 1157 -895 2036 593 -754 2520 -363 227 113 1080 612 212 535 1805 1490 139 -1066 293 -121 19 800 278 -594 -710 175 24 1213 663 -2698 -254 240 571 140 -1262 SS 20230727T111614.9Z 8608.469616 74 1 48.52 2 77.62 75.19 158.81 326.02 0.00 1 0.00 1 0 17 3.327e-01 1.062e-02 1.317e-01 3.475e-03 5.644990e-01 1.841835e-03 6.537623e-03 -6.000000e+00 1.941014e-01 232.28 -2.00 3.47 -2.00 320.59 0.00e+00 3.507704e-03 7.436222e-04 1.977111e-03 -6.000000e+00 8.680266e-03 290.49 -2.00 20.00 -2.00 319.86 0.00e+00 4.529 0.002 302.00 328.00 3 3.0564e+00 5.8697e-03 5.4322e-02 -6.0000e+00 4.8630e-01 1.7206e-02 7.4861e-03 3.1181e-02 -6.0000e+00 5.2548e-01 -9.3873e-02 6.6659e-03 1.6100e-02 -6.0000e+00 3.1249e-01 3.5597e-02 3.3250e-03 5.0147e-03 -6.0000e+00 1.3220e-01 1.5626e-04 -5.6709e-04 9.8086e-05 6.6852e-05 -6.0000e+00 8.9422e-03 2.9073e-02 6.3281e-05 12 9 8 11 4 0 -3.60 27.11 0.72 0.02907 0.02481 41 10 1 5 0 1183.180 31.52 25.00 27.11 31.00 3.1 1030.06 50110 -133521 -113827 -49467 -145687 -109640 900000 -15722 -101757 -73285 -70722 -143693 -22958 -18733 34435 976 -26381 5866 -11036 155046 -26761 -18485 36146 -34242 20061 -6922 67394 5051 2514 -24204 7611 -14093 -19684 -10233 -13090 1118 -15148 -6184 -3800 21352 5149 8790 -5866 9333 512 12847 3691 17780 7372 -1627 745 5007 7552 6873 5265 601 1963 -151 622 3726 2330 4907 3630 231 -1651 -1759 2881 -157 985 2525 -667 -30 -1111 447 -304 -1995 716 -2887 -427 -1251 -881 -326 -1709 -877 -113 -428 -2 284 -54 1321 948 -1413 -797 -1627 -36 -118 377 1047 -789 -411 -106 -1227 -821 -607 -1449 -1588 -76 -765 630 467 -104 746 380 453 697 -201 -199 -49 792 -192 -345 149 1227 1162 -132 -290 -41 1034 -370 238 58 -401 -478 340 79 109 -65 -586 73 132 38 -39 -335 170 -2624 -2020 -468 -3237 -1643 900000 -113 -1920 -1139 -1115 -4960 -301 -299 409 19 -761 136 -329 977 -1020 -654 778 -1554 587 -278 1360 182 90 -1169 311 -836 -1419 -732 -940 68 -1159 -510 -372 1966 623 1107 -891 1271 77 1760 562 2425 1144 -289 141 1012 1624 1605 1320 163 544 -43 172 988 643 1434 1201 87 -670 -703 1067 -60 404 1161 -348 -16 -612 233 -149 -911 296 -1219 -190 -647 -521 -215 -1237 -663 -90 -361 -2 258 -49 1170 800 -1145 -611 -1264 -30 -110 390 1196 -984 -517 -127 -1376 -859 -637 -1621 -1873 -92 -978 848 680 -164 1213 622 721 1058 -296 -292 -75 1254 -318 -575 243 1939 1793 -200 -428 -58 1489 -581 405 106 -759 -933 687 168 239 -146 -1337 167 296 81 -81 -684 SS 20230727T112143.3Z 8608.473417 77 1 48.33 2 76.59 75.99 159.36 329.06 0.00 1 0.00 1 0 25 2.293e-01 7.843e-03 6.658e-02 2.609e-03 5.327863e-01 1.369642e-03 6.078674e-03 -6.000000e+00 1.337826e-01 232.28 -2.00 3.47 -2.00 320.26 0.00e+00 2.050034e-03 4.960760e-04 9.525013e-04 -6.000000e+00 5.982934e-03 290.49 -2.00 20.00 -2.00 319.49 0.00e+00 4.206 0.001 302.00 328.00 3 2.9400e+00 4.1928e-03 5.0330e-02 -6.0000e+00 3.3518e-01 -1.0037e-02 5.2233e-03 2.8309e-02 -6.0000e+00 3.6217e-01 -4.6886e-02 4.5041e-03 1.4219e-02 -6.0000e+00 2.1538e-01 1.4099e-02 2.2876e-03 4.3105e-03 -6.0000e+00 9.1124e-02 2.4703e-04 -3.4324e-04 7.3519e-05 4.8802e-05 -6.0000e+00 6.1626e-03 2.8869e-02 7.0962e-05 11 9 0 11 4 0 34.88 27.12 0.53 0.02887 0.02629 50 12 1 5 0 966.500 31.52 25.00 27.12 31.14 3.1 1030.81 -88559 -111315 2238 -74682 -44557 -106603 900000 -7151 -64666 -33197 -58384 -85707 767 -26113 86034 -23900 -3004 -3106 -8546 58463 -11777 -24989 9889 -20012 -119 -12274 25500 5876 1835 -16702 2777 -16708 12501 -4127 -9574 -4249 -9941 -3315 -6986 8176 -2738 3299 -4211 6260 3624 4605 2650 10649 4828 -1209 -303 5057 3331 4009 2923 -107 -194 -1634 1886 -427 2833 2928 2555 1551 -105 -778 1972 1679 -926 405 -88 -835 -411 372 -774 -1357 -1945 -1275 -396 -811 -1474 -498 -2018 -1826 742 -657 207 71 655 1055 1121 133 -59 18 685 482 -46 769 -384 -352 -547 -1149 -819 -605 -981 -783 -900 -465 143 375 196 726 277 441 578 277 23 -243 332 17 -458 72 538 272 368 -420 67 667 98 145 29 -254 -261 44 -8 45 -37 -191 136 -28 -9 59 -339 -1282 -2370 17 -1212 -500 -2079 900000 -65 -1171 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