File name: Pandora32s1_GreenbeltMD_20241015_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241016T050002.8Z 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_20241015_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: 20241015 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 20241015T122153.9Z 9054.515207 195 1 39.53 2 78.82 111.16 128.02 302.00 0.00 1 0.00 1 0 17 4.476e-01 1.161e-02 1.897e-01 5.153e-03 6.729598e-01 2.725926e-03 7.771047e-03 -6.000000e+00 2.555916e-01 226.12 -2.00 3.47 -2.00 320.91 0.00e+00 3.898881e-03 1.226894e-03 2.381691e-03 -6.000000e+00 1.142828e-02 285.12 -2.00 20.00 -2.00 320.32 0.00e+00 4.975 0.002 302.00 328.00 3 2.9900e+00 8.9113e-03 6.0768e-02 -6.0000e+00 6.3212e-01 1.5100e-01 1.1850e-02 3.6743e-02 -6.0000e+00 6.8641e-01 -1.9921e-01 1.1457e-02 1.9882e-02 -6.0000e+00 4.0888e-01 8.0847e-02 5.5820e-03 6.6139e-03 -6.0000e+00 1.7470e-01 9.3301e-05 -8.6602e-04 1.3887e-04 9.1108e-05 -6.0000e+00 1.1998e-02 1.0547e-02 -1.8788e-04 12 9 9 12 1 1 99.96 20.60 0.43 0.01055 0.00404 20 6 1 5 0 1882.160 25.68 20.73 20.60 13.10 5.2 938.42 -144093 -168804 -94802 -171332 91869 -189496 900000 -96409 -151032 -89497 -138483 -90034 -30698 -114368 -24757 -72484 -74511 -48538 10114 155680 -52798 5070 -41026 20366 9023 -25764 37964 -43193 119 -55045 43183 -40263 13080 -10703 -8791 31502 -15081 17882 -5081 11283 13714 8134 9244 10641 16108 9161 4316 10541 7835 8473 1785 6209 8107 3631 3906 -248 5821 202 3115 3562 3855 6379 1649 3230 552 3631 3054 -55 3074 873 2345 693 404 2484 -3465 571 0 -211 -3816 -876 -1369 -1695 291 -2365 -684 -887 -197 -322 136 758 128 2144 -1276 -3181 133 -733 431 394 825 -514 -982 -1447 -1892 -480 -1122 -1847 -481 -728 -273 407 -114 639 429 319 33 62 286 468 640 -623 183 618 1398 373 316 687 -289 427 -349 753 -3 -29 286 214 -42 -92 -357 -834 117 276 -48 -157 -276 -1549 -2783 -849 -3201 462 -3697 900000 -908 -2716 -974 -2520 -1133 -270 -2901 -341 -1912 -2296 -1299 170 782 -1761 98 -1249 374 200 -843 698 -1677 3 -2471 897 -2213 512 -575 -458 1087 -854 865 -370 845 1139 773 917 1076 1576 976 495 1177 939 1073 264 990 1396 708 809 -56 1277 47 687 764 839 1468 448 976 184 1174 969 -18 1077 355 1044 329 193 1113 -1518 219 0 -75 -1531 -400 -729 -1026 190 -1669 -503 -690 -160 -269 114 617 99 1544 -906 -2324 103 -649 428 438 996 -639 -1178 -1600 -1933 -479 -1185 -2071 -556 -888 -355 576 -176 1037 707 515 52 93 426 720 1026 -1046 305 1002 2185 573 473 997 -410 612 -548 1293 -6 -56 577 449 -92 -212 -837 -1983 276 640 -106 -334 -570 SS 20241015T122658.5Z 9054.518733 198 1 48.64 2 77.90 112.03 128.80 303.19 0.00 1 0.00 1 0 25 3.571e-01 7.447e-03 3.236e-02 1.222e-03 6.400592e-01 6.349990e-04 7.274235e-03 -6.000000e+00 2.025254e-01 226.11 -2.00 3.47 -2.00 320.56 0.00e+00 2.380822e-03 2.573090e-04 7.963709e-04 -6.000000e+00 9.070253e-03 285.12 -2.00 20.00 -2.00 319.93 0.00e+00 4.627 0.002 302.00 328.00 3 9.5954e-01 1.9819e-03 5.6306e-02 -6.0000e+00 5.0100e-01 6.1789e-02 2.5709e-03 3.3202e-02 -6.0000e+00 5.4388e-01 -8.8292e-02 2.4289e-03 1.7371e-02 -6.0000e+00 3.2496e-01 2.9957e-02 1.2079e-03 5.7867e-03 -6.0000e+00 1.3935e-01 1.0428e-03 -7.8502e-04 3.2764e-05 6.3283e-05 -6.0000e+00 9.5094e-03 1.0284e-02 -1.7273e-04 11 8 0 10 0 0 99.99 20.58 0.33 0.01028 0.00438 298 70 1 5 0 163.180 25.68 19.93 20.58 13.28 5.2 940.11 -136969 -124926 -122740 -113736 -98249 -136086 -122434 -116076 -107773 -82054 -112805 -76137 -70941 -62494 -33455 -36814 -18997 -31400 -19069 -20212 -20443 -15987 -28984 -12219 -20894 -8516 -17729 -19481 -15865 -20816 -4725 -6095 -1918 -2312 -6869 -3586 -8975 -908 -2858 1972 2452 161 1632 850 5433 3472 1995 2690 1596 2410 2611 3924 4199 3764 3656 2061 3435 807 1163 691 1356 3084 2812 3942 1916 1130 1683 791 1713 1256 727 661 114 74 -704 -408 -1284 -1537 -1718 -1337 -1087 -1341 -1579 -1928 -839 -910 -340 223 -63 718 472 726 -120 -73 29 -198 224 330 261 -240 -476 -838 -700 -164 -973 -1157 -779 -836 -36 343 362 423 287 405 132 331 124 174 -111 -183 -275 37 448 439 494 418 -77 822 310 263 203 -99 -147 -214 34 -206 -200 217 84 -44 -47 -158 -381 -1599 -1578 -1682 -1436 -983 -1897 -1575 -1604 -1579 -1026 -2029 -1043 -1141 -1199 -614 -855 -425 -887 -522 -597 -631 -474 -1008 -392 -731 -310 -664 -730 -616 -807 -182 -288 -103 -137 -422 -206 -581 -64 -253 203 288 21 224 121 753 501 299 414 238 378 452 755 892 877 912 548 934 227 318 185 367 891 926 1457 719 424 662 319 686 583 381 367 64 40 -348 -181 -526 -677 -764 -699 -669 -883 -1156 -1511 -692 -803 -294 199 -56 622 412 587 -93 -57 25 -184 240 379 332 -314 -592 -941 -758 -174 -1110 -1322 -932 -1066 -50 495 581 685 472 646 211 502 186 272 -175 -302 -455 59 723 686 743 605 -114 1157 488 444 378 -187 -291 -428 71 -466 -442 485 189 -100 -101 -320 -780 SS 20241015T123113.0Z 9054.521678 201 1 1.55 2 77.14 112.77 129.44 304.20 0.00 1 0.00 1 0 17 4.181e-01 1.797e-02 2.796e-01 1.487e-02 6.126508e-01 7.718006e-03 7.078587e-03 -6.000000e+00 2.381402e-01 226.11 -2.00 3.47 -2.00 320.24 0.00e+00 1.383084e-03 2.809070e-03 8.339465e-04 -6.000000e+00 1.097751e-02 285.12 -2.00 20.00 -2.00 319.59 0.00e+00 4.372 0.001 302.00 328.00 3 2.1811e+00 2.3156e-02 5.3471e-02 -6.0000e+00 5.8843e-01 1.0521e-01 2.8687e-02 3.1694e-02 -6.0000e+00 6.3888e-01 -1.6876e-01 2.5129e-02 1.5990e-02 -6.0000e+00 3.8122e-01 7.6220e-02 1.2833e-02 4.6959e-03 -6.0000e+00 1.6368e-01 3.9808e-04 -1.0983e-03 4.0059e-04 5.5460e-05 -6.0000e+00 1.1276e-02 9.1238e-03 -2.3947e-04 12 9 9 12 1 1 999.00 20.60 0.42 0.00912 0.00087 1 15 1 5 0 772.960 25.68 19.51 20.60 13.61 5.3 942.31 346138 -88595 -143933 900000 -136917 900000 -83111 -29232 46087 -69285 81863 -130179 -23053 -107429 -57602 -56699 -15353 22059 -30845 -17463 -9713 -29588 4700 -17812 22198 -14996 31216 -6183 -14410 4322 -35096 19689 -27293 -4089 -17987 -10004 13363 -15375 6938 12321 9680 13267 -268 16562 -3066 -3697 2372 -1182 11517 -1886 7518 2201 9662 52 2567 7512 -1714 4023 3226 382 9985 -2826 7625 -72 8266 5034 -756 4695 -3908 4729 4462 2954 -832 -864 2994 -3341 507 -6508 -4557 -5453 -1434 539 -2769 -146 -1318 -2911 162 -1174 1799 -1523 332 1365 -1885 -3121 -1452 2973 -583 1546 955 -419 -281 -2404 1188 818 -2601 -1121 -2287 139 -1418 534 1384 655 -283 155 948 -445 691 344 -1428 -947 -143 1501 846 -8 836 230 1855 2167 673 -440 555 1002 -770 287 -1288 870 -143 342 -231 -1020 216 -1149 178 5016 -1439 -4303 900000 -3522 900000 -1277 -424 668 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