File name: Pandora32s1_GreenbeltMD_20250605_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250618T161703.1Z 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 v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250605_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: 20250605 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 20250605T111411.1Z 9287.468184 139 1 49.26 2 74.48 73.24 141.03 321.58 0.00 1 0.00 1 0 17 1.565e-01 7.350e-03 7.299e-02 3.204e-03 4.756957e-01 1.660267e-03 5.463303e-03 -6.000000e+00 9.085622e-02 232.28 -2.00 3.47 -2.00 319.68 0.00e+00 1.838581e-03 4.870150e-04 4.132425e-04 -6.000000e+00 3.999041e-03 286.42 -2.00 20.00 -2.00 318.93 0.00e+00 3.669 0.001 302.00 328.00 3 3.8951e+00 4.8036e-03 4.4184e-02 -6.0000e+00 2.2801e-01 4.3397e-02 5.7063e-03 2.5022e-02 -6.0000e+00 2.4630e-01 -5.2501e-02 4.5253e-03 1.2420e-02 -6.0000e+00 1.4654e-01 1.6380e-02 2.3534e-03 3.8958e-03 -6.0000e+00 6.2132e-02 1.6203e-04 -4.5820e-04 9.0827e-05 4.0020e-05 -6.0000e+00 4.1739e-03 9.3283e-03 -1.0791e-04 11 9 0 11 8 0 90.23 21.86 0.82 0.00933 0.00589 23 5 1 5 0 2141.570 26.62 20.01 21.86 26.98 6.0 1019.82 101062 -51542 -44710 -29531 -73242 -54931 -26277 -24031 -13464 -38022 -48556 -41686 -12939 -29902 -6368 2593 -9210 -3987 -5297 2017 1294 -2825 9379 -8659 -243 -3241 5289 -8621 -8694 -12597 -3787 -3619 9814 -1212 2865 -4081 -11459 -4409 -2292 409 -28 1429 3588 1895 3396 -104 2583 3015 1548 -1852 1704 2563 641 3648 2222 1407 -168 -28 1724 605 2403 794 2419 2172 -415 551 12 914 -14 1507 -1246 -913 109 666 -10 -312 -941 -2595 -1578 -1212 -1378 -884 -863 -1134 -273 -691 -364 254 -81 683 918 1718 -313 181 -112 -153 154 309 867 -404 -132 -1352 -1184 -282 -1145 -865 -720 -624 -237 550 506 394 323 -226 157 -163 604 104 152 -67 -350 84 223 146 841 275 204 278 651 136 358 166 -237 242 -234 116 -246 -312 204 63 147 -397 -540 459 -1274 -1118 -629 -2206 -1295 -485 -492 -283 -1113 -1628 -1374 -375 -1266 -261 114 -508 -225 -327 122 82 -187 560 -662 -19 -270 413 -752 -726 -1102 -336 -371 1004 -150 332 -487 -1563 -655 -374 78 -6 329 848 468 835 -27 655 766 405 -517 495 815 226 1344 877 581 -73 -12 722 252 1000 362 1116 1114 -230 293 6 453 -8 907 -862 -667 79 465 -6 -184 -507 -1370 -873 -769 -1016 -682 -729 -1019 -259 -706 -368 265 -85 694 936 1602 -277 156 -104 -161 171 388 1113 -534 -165 -1656 -1330 -313 -1378 -1110 -907 -830 -335 845 798 654 534 -360 231 -243 878 158 230 -108 -577 136 346 233 1277 403 285 388 986 217 616 301 -421 450 -464 230 -505 -654 429 131 289 -782 -1028 SS 20250605T112007.9Z 9287.472313 142 1 48.91 2 73.37 74.08 141.73 323.57 0.00 1 0.00 1 0 17 9.756e-02 6.394e-03 3.362e-02 2.457e-03 4.508053e-01 1.268546e-03 5.200093e-03 -6.000000e+00 5.662031e-02 232.28 -2.00 3.47 -2.00 319.40 0.00e+00 7.973374e-04 3.392401e-04 4.606676e-04 -6.000000e+00 2.492259e-03 286.42 -2.00 20.00 -2.00 318.64 0.00e+00 3.439 0.001 302.00 328.00 3 3.6991e+00 3.5962e-03 4.1581e-02 -6.0000e+00 1.4209e-01 2.5327e-02 4.2131e-03 2.3732e-02 -6.0000e+00 1.5350e-01 -3.3061e-02 3.2135e-03 1.1583e-02 -6.0000e+00 9.1323e-02 9.2468e-03 1.6827e-03 3.2321e-03 -6.0000e+00 3.8717e-02 2.5396e-04 -5.9498e-04 6.9683e-05 3.4690e-05 -6.0000e+00 2.6016e-03 9.4142e-03 -1.4063e-04 10 0 0 10 0 0 54.00 21.91 0.65 0.00941 0.00494 31 7 1 5 0 1577.500 26.73 20.01 21.91 27.18 5.9 1020.37 41501 -27460 -46075 -7285 -46707 -37256 2374 -22149 -9979 -30394 -23892 -41598 -7374 -9795 -10333 4075 -10491 -3255 846 5873 -2824 -7123 4663 -4474 -2046 -3896 -953 -1963 -5717 -10779 -697 -1747 6700 -3158 -1569 -4340 -2526 -1784 -4171 2079 557 1520 -599 1809 1134 1215 3356 1294 -755 -294 -545 3147 687 2189 1141 271 951 -224 980 358 1600 1863 2189 2055 983 199 -148 -648 696 1715 -33 -52 57 151 280 -479 -1011 -1701 -1719 -1013 -1504 -560 -1858 -1430 -489 -842 -124 78 286 240 311 703 -410 428 248 9 161 719 482 -562 -154 -1183 -269 -389 -870 -1000 -820 -294 356 490 38 67 451 272 535 16 216 270 -218 207 -544 155 529 167 366 275 170 545 311 231 102 246 -496 35 59 78 -327 7 98 -211 100 -287 -303 479 -680 -1481 -171 -1362 -1015 46 -618 -283 -1056 -802 -1744 -278 -423 -543 216 -712 -221 59 412 -224 -593 352 -397 -192 -397 -96 -194 -558 -1106 -71 -206 824 -463 -221 -602 -366 -300 -879 456 141 409 -172 521 331 358 973 384 -231 -92 -184 1126 274 923 513 119 426 -102 433 168 756 877 1141 1185 601 119 -83 -361 407 1136 -23 -39 43 109 188 -313 -603 -980 -1043 -700 -1127 -470 -1619 -1314 -474 -879 -128 84 309 253 325 675 -369 398 232 10 182 907 629 -753 -195 -1455 -302 -436 -1055 -1297 -1053 -396 508 722 61 108 750 433 790 23 314 406 -333 335 -904 251 826 252 558 402 237 756 468 366 175 418 -878 64 110 154 -670 14 196 -435 197 -536 -572 SS 20250605T112533.2Z 9287.476079 145 1 49.05 2 72.36 74.85 142.33 325.44 0.00 1 0.00 1 0 17 7.764e-02 5.544e-03 3.087e-02 2.515e-03 4.259948e-01 1.294108e-03 4.907776e-03 -6.000000e+00 4.507621e-02 232.28 -2.00 3.47 -2.00 319.18 0.00e+00 1.306857e-03 3.238724e-04 3.534638e-04 -6.000000e+00 1.983903e-03 286.42 -2.00 20.00 -2.00 318.41 0.00e+00 3.253 0.001 302.00 328.00 3 3.9606e+00 3.6213e-03 3.9281e-02 -6.0000e+00 1.1312e-01 1.7256e-02 4.2096e-03 2.2323e-02 -6.0000e+00 1.2219e-01 -1.9552e-02 3.1318e-03 1.0965e-02 -6.0000e+00 7.2696e-02 2.8182e-03 1.6462e-03 3.2586e-03 -6.0000e+00 3.0829e-02 2.4029e-04 -2.8951e-04 7.1374e-05 3.2836e-05 -6.0000e+00 2.0703e-03 8.5683e-03 -8.5123e-05 11 1 0 11 8 0 99.26 21.95 0.63 0.00857 0.00639 26 6 1 5 0 1886.130 26.73 20.00 21.95 27.24 5.9 1020.24 60115 -17418 -23600 -17955 -14272 -17693 -20958 -15938 -15416 -3485 -23204 -24697 -16481 -12005 110 -134 -2321 4595 -139 7404 -6514 -3810 4579 -64 127 -2008 3777 -1143 -227 -9371 1185 -2157 3034 882 -3169 -1767 -3319 -65 -3189 627 -931 -1078 74 1080 1470 1525 1115 1432 -1271 944 -247 2383 -37 786 1273 245 -161 769 65 1398 859 2165 2008 1915 -386 -350 209 -959 668 1083 296 117 -599 393 -286 -416 -1018 -964 -1135 -326 -1218 -803 -1080 -1512 -402 -829 -254 116 415 826 799 919 254 -310 613 647 -114 436 219 -272 -200 -861 -593 -563 -780 -1157 -506 -531 43 316 311 404 -46 188 183 419 310 323 336 10 -367 -58 266 244 478 -99 173 504 243 104 78 -119 -343 111 393 -99 -251 -132 -78 -5 -48 -83 -197 700 -516 -801 -569 -397 -477 -608 -498 -548 -120 -996 -1121 -795 -672 6 -9 -169 334 -11 589 -619 -354 397 -6 13 -228 413 -127 -24 -1071 133 -286 431 138 -502 -265 -535 -12 -732 154 -263 -327 23 344 470 493 363 464 -427 317 -90 927 -16 361 572 115 -78 372 31 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