File name: Pandora32s1_GreenbeltMD_20231214_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240223T220110.4Z 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_20231214_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: 20231214 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 20231214T125350.9Z 8748.537395 52 1 48.79 2 85.00 125.44 104.27 115.15 0.00 1 0.00 1 0 25 2.516e-01 6.943e-02 1.146e-01 3.065e-02 1.014657e+00 1.643756e-02 1.142773e-02 -6.000000e+00 1.409988e-01 223.14 -2.00 3.47 -2.00 320.03 0.00e+00 -2.399777e-02 2.633164e-03 4.907272e-03 -6.000000e+00 6.212070e-03 278.43 -2.00 20.00 -2.00 319.17 0.00e+00 9.834 0.017 302.00 328.00 3 -8.7018e-03 4.5068e-02 1.1843e-01 -6.0000e+00 3.4727e-01 2.5466e+00 5.2567e-02 8.7387e-02 -6.0000e+00 3.7832e-01 -2.4061e+00 2.8620e-02 2.3809e-02 -6.0000e+00 2.2564e-01 7.3696e-01 1.5093e-02 2.3875e-02 -6.0000e+00 9.6680e-02 9.4475e-06 2.4035e-03 7.1956e-04 2.9116e-04 -6.0000e+00 6.6967e-03 1.4090e-02 -2.0604e-04 12 8 8 10 0 0 10.42 20.38 2.91 0.01409 0.03215 21 5 1 5 0 2323.200 25.17 20.01 20.38 5.32 3.8 885.62 45450 27944 24974 9703 -24133 -27859 -18588 -14886 3572 9485 -5529 -28181 34495 14188 20615 32349 8049 48533 6980 35554 -2971 -30110 23870 -17084 46869 32108 16626 -18730 -53305 -39076 -3879 -30520 61303 -25425 -41685 -63277 -27019 -21269 587 39215 41462 33147 49680 54506 3262 70197 27994 -14341 28974 -32183 -29130 6675 4331 43376 12269 33645 16559 24545 -16297 -29655 -3739 -38748 1708 -20594 -15103 6509 14522 52593 -431 85314 12432 23636 30698 34917 -23074 -41783 -26351 -20784 -31440 -15071 -8739 20025 -3093 32213 18945 15553 47530 14128 20547 2510 -4156 -2908 1045 -11219 4706 20022 12057 9131 16545 591 -294 -15818 -11103 -9226 -4686 -7255 -1183 -1003 2208 6573 4363 7605 -289 1642 7749 -3597 395 -1781 8261 -5551 489 1563 1995 253 445 -5637 883 -7082 -3983 586 324 -6040 -2848 -577 5044 -588 -1638 -4443 1603 225 770 3074 5385 11734 8202 6651 2426 -6558 -6889 -4395 -3843 845 2191 -1458 -9267 6281 3316 4762 6857 2144 8309 1707 5991 -662 -7937 3697 -4503 7260 5846 3208 -4225 -13907 -8177 -611 -6967 5997 -5873 -10082 -17196 -5213 -4451 120 6394 7211 6306 8316 7821 692 6925 3933 -3001 3984 -8562 -8186 1437 1023 7391 3007 6940 4108 5356 -4774 -8688 -782 -11815 383 -6403 -4650 1576 3212 8333 -129 12241 3976 6854 7892 7724 -7863 -14739 -7326 -5592 -10620 -5136 -3292 6525 -1405 10881 7645 6741 15345 6377 8415 1156 -1889 -1235 425 -5567 2307 9936 7569 6797 12563 530 -247 -13618 -8098 -6481 -3348 -5617 -909 -834 2013 6720 5269 9799 -421 2337 10053 -5075 539 -2598 11459 -9010 720 2140 2594 328 561 -7347 1059 -9929 -6417 1068 675 -13410 -6641 -1434 12844 -1674 -4816 -13571 4565 618 1933 7618 12556 SS 20231214T130623.2Z 8748.546102 55 1 48.59 2 83.04 127.56 102.18 116.81 0.00 1 0.00 1 0 17 3.141e-01 2.350e-02 1.024e-01 6.299e-03 9.668551e-01 3.487514e-03 1.069366e-02 -6.000000e+00 1.760072e-01 223.14 -2.00 3.47 -2.00 322.07 0.00e+00 5.137697e-03 1.755554e-03 1.602665e-03 -6.000000e+00 7.754414e-03 278.43 -2.00 20.00 -2.00 321.62 0.00e+00 7.574 0.008 302.00 328.00 3 3.7214e-01 1.2436e-02 9.0118e-02 -6.0000e+00 4.3349e-01 1.2601e+00 1.5671e-02 5.0848e-02 -6.0000e+00 4.7222e-01 -1.7246e+00 1.2428e-02 2.7012e-02 -6.0000e+00 2.8164e-01 7.0407e-01 6.1612e-03 9.5712e-03 -6.0000e+00 1.2070e-01 7.4314e-05 -2.2113e-03 1.5508e-04 1.4208e-04 -6.0000e+00 8.3574e-03 1.3547e-02 -1.7316e-04 12 8 8 10 0 0 70.25 20.39 0.93 0.01355 -0.00307 82 19 1 5 0 592.540 25.17 20.00 20.39 6.06 3.8 890.49 -57310 -23450 -41921 -47896 7632 -106305 -34304 -100883 -80369 -107588 -121482 -87039 -49463 -9052 -36029 -2018 -14887 -12134 34347 41882 20260 -26786 18259 -34267 -19400 20000 -16412 5168 -23639 -44990 18471 -14826 62508 6772 4203 -13850 22228 35686 21111 61647 24957 42823 7599 65558 55740 52858 41998 50843 14447 3619 50707 56864 41228 52328 26161 43402 35401 19049 32901 13094 17311 11221 23588 25270 19215 26975 24103 20782 12463 24904 20345 14667 16894 11574 4871 -3968 2655 311 -9990 -46 -1010 3398 -1960 1908 2815 -1559 4935 -1487 4088 1458 -340 -1464 -5195 -4142 -4814 -4353 -1905 -2145 -2458 -3411 -1869 -4151 -3313 -2449 -5305 -3088 -2795 -2827 -2642 -1280 -766 -476 -718 -979 399 -722 -342 78 1058 459 1713 2561 3698 2095 3040 2090 899 1328 728 1171 876 76 199 218 415 -120 15 -414 352 -23 -204 -1121 -2352 -2368 -773 -1662 -1819 136 -4987 -728 -4169 -2738 -4747 -5970 -3159 -1641 -256 -1509 -78 -657 -549 1097 1209 685 -1316 538 -1726 -858 590 -665 156 -886 -2156 556 -765 1728 349 209 -749 833 1293 1037 2348 1518 2289 588 2819 2568 2468 2193 2499 1074 320 3084 3633 3368 4115 2812 4026 3588 2212 3112 1408 1744 1282 2724 3322 2963 3911 3583 3319 2373 4804 4549 3613 3985 2659 1062 -826 476 58 -2375 -12 -324 1114 -764 767 1184 -722 2238 -739 1913 676 -150 -617 -2228 -1855 -2506 -2713 -1388 -1848 -2410 -3522 -1814 -3669 -2551 -1784 -4189 -2547 -2432 -2665 -2795 -1432 -992 -686 -1091 -1499 585 -1039 -491 117 1656 749 2706 3788 5119 2865 4012 2707 1144 1760 1128 2148 1845 163 461 546 1114 -342 41 -1132 1020 -63 -526 -2654 -5286 SS 20231214T131708.9Z 8748.553575 58 1 48.58 2 81.41 129.44 100.40 118.26 0.00 1 0.00 1 0 17 6.052e-01 1.655e-02 6.655e-02 2.571e-03 8.519038e-01 1.386838e-03 9.514675e-03 -6.000000e+00 3.391914e-01 223.14 -2.00 3.47 -2.00 321.64 0.00e+00 8.495289e-03 7.154158e-04 2.122477e-03 -6.000000e+00 1.494360e-02 278.43 -2.00 20.00 -2.00 321.17 0.00e+00 6.314 0.004 302.00 328.00 3 3.6607e-01 4.8498e-03 7.6511e-02 -6.0000e+00 8.3541e-01 5.1790e-01 6.7862e-03 4.5611e-02 -6.0000e+00 9.1000e-01 -7.2137e-01 6.8269e-03 2.6629e-02 -6.0000e+00 5.4274e-01 2.9992e-01 3.2041e-03 1.2077e-02 -6.0000e+00 2.3263e-01 2.9558e-04 -1.4573e-03 6.5227e-05 1.6149e-04 -6.0000e+00 1.6103e-02 1.2842e-02 -1.6628e-04 12 8 8 10 0 0 -7.69 20.42 0.59 0.01284 0.00189 178 42 1 5 0 272.910 25.17 20.01 20.42 6.70 3.7 893.03 -202623 -196981 -162684 -182751 -122329 -221437 -173140 -193020 -205263 -171162 -194630 -169616 -144210 -119772 -66190 -84350 -53898 -67182 -44226 -32246 -46726 -45984 -47032 -49986 -41685 -37623 -45442 -40820 -42965 -65573 -2215 -23897 23052 13127 -1819 2573 -14781 6405 5996 21273 9792 11612 12841 20902 23334 19710 19129 26924 15252 17981 16837 18771 23130 20670 23493 17494 16488 12372 10890 9368 10051 12831 11742 12105 10740 12261 12515 9062 8810 8705 6961 5247 4784 3845 2008 1830 -1996 -320 -2519 -382 884 -577 -2020 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