File name: Pandora32s1_GreenbeltMD_20250714_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250715T052632.7Z 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_20250714_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: 20250714 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 20250714T110036.5Z 9326.458756 207 1 49.29 2 78.96 71.07 63.94 228.05 0.00 1 0.00 1 0 17 4.394e-01 1.748e-02 2.405e-01 8.455e-03 6.312025e-01 4.684085e-03 7.311159e-03 -6.000000e+00 2.603702e-01 232.68 -2.00 3.47 -2.00 321.10 0.00e+00 2.556685e-03 2.138239e-03 2.528800e-03 -6.000000e+00 1.230957e-02 290.09 -2.00 20.00 -2.00 320.43 0.00e+00 5.032 0.002 302.00 328.00 3 3.6903e+00 1.5940e-02 6.1187e-02 -6.0000e+00 6.5663e-01 1.8417e-01 2.1019e-02 3.6868e-02 -6.0000e+00 7.1147e-01 -2.6056e-01 1.8826e-02 1.8012e-02 -6.0000e+00 4.1765e-01 1.0448e-01 9.0880e-03 4.8569e-03 -6.0000e+00 1.7747e-01 4.5465e-05 -9.4767e-04 2.4385e-04 7.1194e-05 -6.0000e+00 1.2270e-02 1.1079e-02 -7.7153e-05 12 9 8 11 8 0 99.99 22.41 0.42 0.01108 0.00396 35 8 1 5 0 1408.010 27.15 20.01 22.41 29.61 6.3 1032.55 900000 -85203 -190421 900000 -188362 -184110 900000 900000 66281 900000 -147206 -144827 900000 -84949 47373 35772 -16711 124277 127611 900000 -56813 -2468 67164 -13009 -1845 -81167 84258 16799 71354 -31774 13184 15424 88629 -17866 -23436 31972 -6231 -4288 -15709 19807 6024 16028 13364 47435 17793 32723 16505 42045 3840 4503 8306 18324 9661 8628 11994 5894 4563 -3533 6592 9515 3731 9572 5473 -717 -3404 -906 6445 6600 -392 5686 2849 -513 2919 116 1283 1994 1531 1650 -799 -2387 -1703 15 321 -2627 2938 -1708 -1266 -1320 -3231 1754 -415 2744 -3291 -1064 -2589 -1931 -2472 2094 -1351 -1258 -303 -1342 -487 -2783 -1521 -1384 -1321 -568 1112 223 -329 353 722 -73 1421 200 312 390 628 -252 -614 -78 1465 836 -93 759 1356 874 638 1098 608 247 -751 246 -33 762 -144 -1496 -95 191 204 -584 -457 900000 -952 -6155 900000 -5507 -4878 900000 900000 546 900000 -4088 -4221 900000 -2141 429 433 -373 1023 1051 900000 -2362 -62 901 -394 -54 -5240 1211 442 1099 -1306 408 553 1875 -1096 -1489 1181 -344 -269 -1318 1431 559 1464 1311 3505 1747 2845 1697 3495 470 575 1117 2502 1564 1526 2184 1183 959 -805 1339 1836 772 2020 1344 -209 -1090 -281 1811 1872 -128 2003 1148 -225 1247 49 497 695 494 524 -280 -989 -817 8 189 -1687 1904 -1229 -957 -1034 -2590 1315 -300 1809 -2176 -693 -1860 -1571 -2305 2119 -1547 -1473 -337 -1380 -455 -2631 -1510 -1459 -1456 -658 1362 303 -492 557 1149 -115 2096 287 443 573 970 -411 -1010 -125 2239 1248 -136 1065 1827 1200 958 1828 1104 474 -1513 516 -72 1762 -344 -3654 -232 454 462 -1267 -958 SS 20250714T110639.9Z 9326.462962 210 1 48.38 2 77.84 71.94 64.78 229.36 0.00 1 0.00 1 0 25 2.986e-01 8.220e-03 9.690e-02 3.407e-03 5.866708e-01 1.815238e-03 6.685054e-03 -6.000000e+00 1.737010e-01 232.68 -2.00 3.47 -2.00 320.58 0.00e+00 1.626272e-03 7.273237e-04 1.210142e-03 -6.000000e+00 7.777375e-03 290.09 -2.00 20.00 -2.00 319.87 0.00e+00 4.606 0.002 302.00 328.00 3 2.8851e+00 5.7412e-03 5.5422e-02 -6.0000e+00 4.3578e-01 4.8407e-02 7.3742e-03 3.1693e-02 -6.0000e+00 4.7049e-01 -8.9313e-02 6.6789e-03 1.5880e-02 -6.0000e+00 2.8024e-01 3.2599e-02 3.3285e-03 4.5857e-03 -6.0000e+00 1.1986e-01 1.6404e-04 -6.4130e-04 9.4848e-05 5.5188e-05 -6.0000e+00 8.0336e-03 8.9237e-03 -6.8499e-05 11 9 0 11 8 0 99.99 22.45 0.47 0.00892 0.00410 45 11 1 5 0 1074.860 27.15 20.01 22.45 29.96 6.3 1034.42 900000 -117821 -138720 -112921 -64947 -133024 -7366 -98036 -61909 -98174 -114043 -82569 -23214 -38290 -13831 11820 -34322 -16453 -1106 13399 -24383 -20395 3326 -17565 17854 -26110 38190 -11852 2668 -15769 -4692 -18260 19225 -6720 -5192 -792 -9781 2216 -8225 -197 2241 3058 -4784 7375 6787 2914 6585 10417 -2393 395 -1272 7222 2231 3108 4101 564 1086 -1886 1623 1707 2176 4163 1310 1864 2057 1824 -452 1085 1397 1776 1953 -20 259 738 49 -127 -1835 -1348 -3017 -1595 -897 -727 -1004 -1766 -77 -1042 -338 691 -112 1659 8 1501 -1011 532 -970 -515 0 162 -59 -466 -720 -1069 -851 184 -1143 -1189 -771 -319 79 394 121 347 637 19 394 420 122 21 100 271 -390 209 467 312 299 -235 -98 1004 239 261 -94 232 -579 128 68 57 -77 -139 124 -273 388 -402 -368 900000 -1729 -2765 -1751 -628 -2209 -40 -1384 -767 -1766 -2526 -1440 -294 -657 -234 203 -979 -433 -27 304 -844 -683 90 -637 499 -1214 962 -482 91 -664 -201 -1072 905 -452 -339 -48 -688 163 -826 -22 261 384 -687 969 909 413 917 1427 -385 65 -233 1364 489 734 1024 153 304 -549 447 459 592 1201 439 699 825 723 -176 420 582 789 973 -11 141 383 24 -60 -800 -571 -1402 -793 -521 -483 -739 -1304 -59 -873 -299 628 -103 1464 6 1158 -806 417 -784 -475 0 183 -74 -600 -884 -1192 -919 194 -1229 -1368 -930 -406 108 562 191 551 1018 31 608 615 177 31 161 460 -636 349 749 485 446 -339 -144 1470 366 450 -168 442 -1160 255 144 128 -171 -313 281 -606 851 -837 -736 SS 20250714T111147.9Z 9326.466527 213 1 12.46 2 76.89 72.68 65.51 230.46 0.00 1 0.00 1 0 17 2.802e-01 1.102e-02 1.758e-01 6.031e-03 5.547346e-01 3.179238e-03 6.354657e-03 -6.000000e+00 1.630924e-01 232.68 -2.00 3.47 -2.00 320.23 0.00e+00 1.064919e-03 1.135770e-03 1.084072e-03 -6.000000e+00 7.299764e-03 290.09 -2.00 20.00 -2.00 319.48 0.00e+00 4.296 0.001 302.00 328.00 3 3.0063e+00 9.6525e-03 5.1899e-02 -6.0000e+00 4.0916e-01 5.4307e-02 1.1978e-02 2.9821e-02 -6.0000e+00 4.4170e-01 -8.0189e-02 1.0275e-02 1.4607e-02 -6.0000e+00 2.6309e-01 2.6592e-02 5.2351e-03 4.0351e-03 -6.0000e+00 1.1257e-01 1.9976e-04 -4.8114e-04 1.6654e-04 4.6491e-05 -6.0000e+00 7.5390e-03 6.8802e-03 -3.6441e-05 12 9 9 12 1 1 99.33 22.49 0.49 0.00688 0.00326 8 8 1 5 0 1384.170 27.15 20.01 22.49 30.24 6.3 1035.82 900000 -74403 -127445 20022 -148350 44723 -118217 -65138 -16200 -94015 -38719 -82801 78955 -42882 -21735 -9935 -29614 41650 -39983 73099 -5785 -24547 18798 -18922 33749 -20163 33191 -3225 -18516 -1159 -8591 21145 -1341 -4916 -9306 -8592 2403 -11142 10795 -648 -1025 7589 -2718 11520 -2097 7032 2864 7728 395 -5084 7326 4694 8214 3440 1429 2945 402 1061 -2130 2412 2093 2883 4509 1891 4270 -1329 460 2151 -153 2265 -738 870 -752 76 -33 -3242 -1145 -2300 -1030 -1591 -602 -1884 -2450 -942 -650 1060 -800 1162 -416 1157 1100 489 244 -952 47 -703 -1150 1324 -384 -535 -477 -1956 1034 -1243 -861 -1440 -744 -306 -636 736 -405 498 354 762 476 -381 383 714 -35 364 -485 678 45 449 172 225 464 619 595 142 173 530 -223 144 -453 185 -14 -388 48 -458 104 -320 -173 900000 -1101 -3421 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