File name: Pandora32s1_GreenbeltMD_20231222_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240223T215959.4Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231222_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: 20231222 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 20231222T132043.9Z 8756.556063 155 1 42.37 2 81.63 129.52 127.17 1.13 0.00 1 0.00 1 0 17 5.594e-01 1.947e-02 2.301e-01 6.625e-03 8.348522e-01 3.591492e-03 9.427275e-03 -6.000000e+00 3.138452e-01 223.29 -2.00 3.47 -2.00 321.67 0.00e+00 1.208641e-02 1.849374e-03 1.412038e-03 -6.000000e+00 1.404419e-02 277.90 -2.00 20.00 -2.00 321.21 0.00e+00 6.460 0.005 302.00 328.00 3 1.7431e+00 1.2505e-02 7.7400e-02 -6.0000e+00 7.7337e-01 6.0336e-01 1.7349e-02 4.6373e-02 -6.0000e+00 8.4228e-01 -8.3134e-01 1.7258e-02 2.6002e-02 -6.0000e+00 5.0217e-01 3.4828e-01 8.1135e-03 1.4865e-02 -6.0000e+00 2.1542e-01 6.4672e-05 -1.8849e-03 1.7062e-04 1.7847e-04 -6.0000e+00 1.4898e-02 1.0020e-02 -1.4714e-04 12 9 9 12 9 1 88.26 20.54 0.81 0.01002 -0.00414 32 9 1 5 0 1283.670 25.28 19.98 20.54 5.85 3.8 888.34 -159790 -207403 -176686 -56822 -145883 -123977 -127811 -108784 -203874 -174396 -164950 -190731 900000 -129702 -8284 -28235 -86030 -34865 -42591 155163 -34791 -34320 118394 -52488 59907 -17804 67497 -68219 -50484 6375 34169 15828 60918 38824 -6132 -15927 45103 1746 31229 5848 42419 13489 23193 75454 24728 53377 25229 43369 23461 19450 31346 21005 31672 27216 21756 21485 20484 20674 9648 11789 11314 1084 16328 8507 10439 8247 15513 13200 10600 15446 4616 4760 3475 4224 -999 -5138 1445 -3822 -1601 -4362 -4279 2986 -3927 -726 623 150 2891 -1426 2206 -353 1281 -2955 -1156 -4313 -2882 -1582 -1108 -1229 -881 -1979 369 -3086 -1162 -1736 -2509 -3967 -1093 -1149 -1201 -747 -1243 356 -80 -211 695 -156 10 -538 888 19 1545 1869 1630 1212 485 1148 1505 1145 713 1069 754 -312 -116 370 881 -139 -614 -626 15 34 -409 -515 -1066 -2628 -6699 -4566 -477 -2399 -1602 -1651 -1195 -5508 -3943 -3410 -5040 900000 -3603 -91 -474 -3001 -811 -1156 1002 -899 -842 765 -1526 580 -380 610 -2336 -1435 111 552 389 1141 1003 -242 -648 1020 69 1089 310 1754 802 1318 2632 1454 2414 1565 2353 1652 1533 2430 2035 3049 2971 2656 2706 2647 2631 1315 1516 1476 171 2553 1519 2023 1661 2879 2581 2322 3710 1380 1493 1094 1238 -279 -1325 322 -909 -420 -1430 -1689 1278 -2020 -387 347 89 1756 -936 1399 -223 748 -1688 -626 -2490 -1858 -1197 -909 -1183 -954 -2252 392 -3029 -990 -1428 -2197 -3762 -1063 -1203 -1395 -993 -1753 544 -127 -332 1042 -226 15 -817 1408 31 2509 2884 2396 1735 735 1670 2109 1661 1094 1912 1528 -647 -255 866 2200 -346 -1572 -1620 39 90 -1015 -1177 -2316 SS 20231222T133747.0Z 8756.567905 160 1 26.59 2 79.13 132.58 126.90 6.06 0.00 1 0.00 1 0 17 4.498e-01 1.069e-02 9.236e-02 2.948e-03 6.932837e-01 1.536889e-03 7.929218e-03 -6.000000e+00 2.524339e-01 223.29 -2.00 3.47 -2.00 320.83 0.00e+00 4.954484e-03 6.535889e-04 1.715035e-03 -6.000000e+00 1.108847e-02 277.90 -2.00 20.00 -2.00 320.32 0.00e+00 5.110 0.002 302.00 328.00 3 1.5497e+00 4.8117e-03 6.1679e-02 -6.0000e+00 6.2205e-01 1.5723e-01 6.3941e-03 3.6262e-02 -6.0000e+00 6.7739e-01 -2.0949e-01 6.4818e-03 2.0990e-02 -6.0000e+00 4.0384e-01 8.1923e-02 3.1886e-03 8.5651e-03 -6.0000e+00 1.7310e-01 3.4399e-04 -7.9616e-04 7.7419e-05 1.0037e-04 -6.0000e+00 1.1966e-02 9.0284e-03 -1.0799e-04 12 9 9 12 1 1 98.57 20.55 0.49 0.00903 0.00305 55 24 1 5 0 474.700 25.28 20.01 20.55 7.03 3.8 896.04 -144940 -63025 -158648 -137651 -165971 -173810 -107774 -164173 -110514 -169960 -104382 -156493 -71672 -70382 -70911 -8773 -69964 -24221 -46235 -15395 -14503 -35207 -2660 -49799 8718 -24534 -9399 -14843 -43622 -30102 -27445 -16452 10874 -4221 -466 -14115 -2196 -10559 3967 5154 5540 3235 -4759 9231 6696 7725 8550 6629 8245 -335 7282 5718 9218 10488 2562 6027 3832 3034 2234 3176 4922 966 4825 3532 4212 2429 2432 4108 1259 3585 1114 679 1592 187 -843 -2357 -386 -2427 -2285 -994 -1952 -385 -3165 -1438 -957 -872 581 -624 823 308 323 -107 -1253 -290 -1432 -246 -745 442 239 -737 -59 -1499 -882 -401 -938 -1121 -1373 -350 -389 299 336 281 667 2 420 19 396 242 308 86 -158 393 519 751 626 516 295 152 647 84 439 -37 -138 207 -340 -286 -127 4 109 -321 -39 -158 -324 -1458 -344 -2509 -1781 -2624 -2798 -930 -2785 -1239 -3762 -1260 -3509 -865 -1113 -1468 -121 -2072 -508 -1329 -345 -334 -992 -55 -1775 188 -783 -265 -435 -1680 -1073 -1128 -747 447 -224 -24 -787 -115 -701 279 395 485 316 -535 936 709 830 939 771 993 -47 1049 945 1631 2001 566 1344 902 722 521 715 1105 246 1351 1051 1355 797 780 1322 454 1457 520 337 783 88 -370 -939 -139 -886 -918 -470 -1106 -248 -2153 -1027 -722 -701 487 -548 714 261 257 -80 -900 -210 -1161 -229 -756 512 288 -922 -70 -1725 -906 -400 -1001 -1280 -1653 -445 -505 434 514 463 1116 3 652 28 581 369 498 146 -268 639 807 1127 968 770 423 223 994 148 810 -73 -273 433 -764 -644 -292 10 256 -731 -88 -333 -650 SS 20231222T134325.8Z 8756.571826 163 1 48.73 2 78.33 133.61 126.76 7.69 0.00 1 0.00 1 0 17 3.632e-01 8.336e-03 3.706e-02 1.347e-03 6.590567e-01 6.951404e-04 7.486750e-03 -6.000000e+00 2.037853e-01 223.29 -2.00 3.47 -2.00 320.56 0.00e+00 3.842917e-03 2.712981e-04 8.712916e-04 -6.000000e+00 8.951650e-03 277.90 -2.00 20.00 -2.00 320.03 0.00e+00 4.787 0.002 302.00 328.00 3 1.0647e+00 2.0996e-03 5.7821e-02 -6.0000e+00 5.0217e-01 1.0988e-01 2.7133e-03 3.3897e-02 -6.0000e+00 5.4686e-01 -1.3918e-01 2.6969e-03 1.8645e-02 -6.0000e+00 3.2602e-01 5.0647e-02 1.3531e-03 7.3650e-03 -6.0000e+00 1.3974e-01 7.8727e-04 -8.1917e-04 3.5591e-05 7.6595e-05 -6.0000e+00 9.6611e-03 8.9699e-03 -1.2993e-04 11 8 0 10 0 0 97.68 20.56 0.39 0.00897 0.00281 188 44 1 5 0 259.180 25.28 20.00 20.56 7.34 3.8 897.59 -125437 -148821 -87993 -142021 -86687 -143320 -109887 -92960 -128211 -88488 -122475 -63108 -80943 -61146 -29030 -56407 -15739 -39695 -7379 -12896 -16523 -13352 -31465 -8844 -22541 -10416 -20276 -27176 -13533 -29509 1385 -9644 7208 1471 -11850 -4323 -12864 4346 -2150 3893 4560 -296 1521 1045 5489 4928 1826 4436 1104 3131 2235 6140 5520 3486 5029 1645 4389 687 1794 1465 762 3708 1835 4470 2363 1410 1826 129 1542 1606 1314 648 124 394 -671 -1128 -2293 -1530 -1883 -1432 -980 -1730 -1795 -2106 -889 -591 -432 350 21 813 523 569 -438 -493 -27 -310 367 272 354 -207 -481 -763 -877 28 -963 -1388 -612 -859 -49 198 371 373 235 314 46 432 98 54 306 -120 -7 239 514 361 393 383 -100 1003 221 267 103 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