File name: Pandora32s1_GreenbeltMD_20250516_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250517T051600.4Z 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 v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250516_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: 20250516 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 20250516T105952.8Z 9267.458250 213 1 47.06 2 78.78 74.27 79.50 218.47 0.00 1 0.00 1 0 25 4.826e-01 1.889e-02 2.485e-01 8.308e-03 6.371128e-01 4.485178e-03 7.869364e-03 -6.000000e+00 2.809988e-01 231.20 -2.00 3.47 -2.00 321.08 0.00e+00 4.672487e-03 2.026110e-03 5.307191e-03 -6.000000e+00 1.227086e-02 284.47 -2.00 20.00 -2.00 320.48 0.00e+00 4.960 0.002 302.00 328.00 3 3.9136e+00 1.4914e-02 6.4335e-02 -6.0000e+00 7.0463e-01 2.0573e-01 1.9489e-02 4.6021e-02 -6.0000e+00 7.6303e-01 -3.6003e-01 1.7915e-02 2.1485e-02 -6.0000e+00 4.5141e-01 1.5605e-01 8.6588e-03 5.2834e-03 -6.0000e+00 1.9177e-01 3.9287e-05 -6.4844e-04 2.3404e-04 1.1194e-04 -6.0000e+00 1.3220e-02 9.5222e-03 -1.2996e-04 12 8 8 10 0 0 97.10 21.76 0.77 0.00952 0.00465 13 3 1 5 0 3619.510 26.62 20.01 21.76 25.91 5.9 1013.85 900000 -118529 -173041 -123918 -95175 -184284 241221 900000 -83763 -64309 -145251 -155342 54044 27142 -27328 -22346 -77559 49566 75641 30026 11702 -44141 75248 -50618 44452 -24535 196246 28550 67492 -29533 -2620 -7845 42398 3340 -19080 2961 12515 -9324 -21232 11044 -4955 21085 57362 52762 20330 32514 42623 31261 15990 37424 201 27556 15783 12870 9243 3189 -4097 -113 9803 2225 10534 -217 12581 1063 5411 7453 2297 1261 1194 3059 -179 -1654 1850 667 -1254 -5273 -1718 -4086 -1805 -1874 -5631 1316 -1309 -2370 299 -3002 128 551 -627 -111 -479 5955 -638 -2063 -413 -1070 -759 389 1179 -1217 -690 -3855 -3027 -1754 -2959 -741 -1264 116 -782 699 313 664 1060 -38 1272 -427 1575 662 775 59 -602 943 2059 888 320 -984 752 138 396 418 6 293 -1278 851 -131 212 -422 -1743 929 378 -104 -3 -572 900000 -2179 -5835 -2573 -1362 -5791 1954 900000 -1255 -852 -4329 -5473 438 253 -542 -507 -3381 695 891 578 276 -1761 956 -2291 862 -970 1589 671 1059 -1225 -97 -363 1409 176 -1215 147 596 -631 -1941 884 -521 1867 3779 3737 1987 2878 3503 2928 1796 3610 30 3550 2485 2250 1773 672 -953 -25 1956 466 2078 -51 2958 313 1637 2199 689 386 395 1134 -76 -750 815 285 -506 -1998 -581 -1398 -655 -796 -2881 718 -804 -1558 203 -2234 97 433 -501 -86 -354 3909 -423 -1394 -300 -890 -718 411 1355 -1460 -790 -4160 -2981 -1693 -3059 -797 -1431 137 -999 970 476 1065 1716 -60 1923 -629 2275 996 1225 98 -1012 1528 3204 1360 479 -1441 1051 197 615 720 12 575 -2632 1803 -296 498 -1014 -4286 2250 899 -239 -6 -1212 SS 20250516T110558.2Z 9267.462479 216 1 49.20 2 77.64 75.16 80.22 219.57 0.00 1 0.00 1 0 17 3.496e-01 1.446e-02 1.310e-01 5.830e-03 5.937307e-01 3.099776e-03 6.928314e-03 -6.000000e+00 2.021798e-01 231.20 -2.00 3.47 -2.00 320.74 0.00e+00 6.512438e-03 1.263034e-03 2.119493e-03 -6.000000e+00 8.889258e-03 284.47 -2.00 20.00 -2.00 320.12 0.00e+00 4.536 0.002 302.00 328.00 3 3.8502e+00 9.8157e-03 5.5102e-02 -6.0000e+00 5.0635e-01 1.4645e-01 1.2428e-02 3.1939e-02 -6.0000e+00 5.4787e-01 -2.4806e-01 1.1201e-02 1.8292e-02 -6.0000e+00 3.2563e-01 1.0609e-01 5.5564e-03 7.8629e-03 -6.0000e+00 1.3896e-01 6.4700e-05 -5.5824e-04 1.6325e-04 9.9915e-05 -6.0000e+00 9.3997e-03 8.6589e-03 -9.9709e-05 12 8 8 10 0 0 97.12 21.78 0.67 0.00866 0.00446 18 4 1 5 0 2732.800 26.62 20.00 21.78 26.14 5.9 1015.48 900000 -83141 -105237 -98538 -181258 -151362 -54497 -112339 -54764 -142590 -55156 -97277 -17947 -47027 -38914 -10044 -2169 57408 -11289 99044 -22478 -14268 25777 -1755 12647 -28392 61991 -1466 11642 -33005 17946 -22647 -22307 8687 -6906 6272 -14361 -3627 -13468 25467 2380 10440 22787 18909 9616 18044 17448 18498 8397 8074 -475 7192 5776 11991 4307 9082 212 -1409 80 1706 1212 1668 5741 3109 1659 1877 2557 1911 189 3639 1548 1232 376 308 -3409 -3362 -3816 -1970 -3579 -3960 -3206 1100 -1315 -2049 480 -745 -811 -79 287 1025 -1018 3009 -2244 -109 4 -794 -341 130 735 -637 -308 -1963 -781 -1388 -583 -1658 -1581 -470 234 746 44 242 184 80 615 134 436 -414 -295 177 -365 804 1429 1235 838 -163 279 92 251 717 148 1095 -1098 250 260 45 -320 -799 366 -149 225 -79 -948 900000 -1275 -2182 -1911 -7099 -4156 -602 -2369 -736 -4746 -814 -2307 -241 -1071 -1028 -242 -55 901 -372 1188 -894 -520 646 -60 400 -1388 1304 -55 380 -1716 660 -1453 -1654 524 -474 364 -1066 -280 -1373 2131 279 1221 2496 2223 1258 2227 2213 2378 1227 1239 -86 1342 1190 2512 1023 2134 56 -375 21 425 310 460 1711 1062 612 684 894 674 73 1540 741 621 192 151 -1614 -1446 -1519 -760 -1507 -1941 -1805 672 -898 -1487 360 -600 -686 -69 251 871 -835 2241 -1658 -79 3 -707 -342 145 890 -796 -369 -2195 -799 -1417 -625 -1896 -1886 -584 309 1065 68 396 304 129 942 199 639 -632 -471 295 -614 1312 2258 1904 1259 -239 396 132 389 1216 270 2083 -2192 515 561 101 -740 -1876 855 -343 497 -168 -1963 SS 20250516T111118.0Z 9267.466180 219 1 48.51 2 76.63 75.94 80.86 220.52 0.00 1 0.00 1 0 17 2.781e-01 9.130e-03 1.222e-01 4.177e-03 5.637008e-01 2.203135e-03 6.476595e-03 -6.000000e+00 1.608519e-01 231.20 -2.00 3.47 -2.00 320.48 0.00e+00 3.235264e-03 8.355133e-04 1.433618e-03 -6.000000e+00 7.072590e-03 284.47 -2.00 20.00 -2.00 319.83 0.00e+00 4.219 0.001 302.00 328.00 3 3.6449e+00 6.7816e-03 5.1515e-02 -6.0000e+00 4.0284e-01 5.3343e-02 8.5191e-03 3.0259e-02 -6.0000e+00 4.3589e-01 -1.1118e-01 7.6895e-03 1.5917e-02 -6.0000e+00 2.5907e-01 4.2565e-02 3.8625e-03 5.3620e-03 -6.0000e+00 1.1055e-01 1.1296e-04 -5.6658e-04 1.1759e-04 6.4486e-05 -6.0000e+00 7.4790e-03 8.5107e-03 -1.2647e-04 11 9 0 11 8 0 98.22 21.81 0.53 0.00851 0.00425 29 7 1 5 0 1672.380 26.62 20.01 21.81 26.48 5.9 1017.28 900000 -78927 -110237 -76633 -139488 -95559 -98708 -52849 71587 -86924 -49631 -94933 -47271 -14013 -28368 71767 -12680 -8840 -22271 27629 -12490 14 10984 -37494 -17564 -22557 31223 9934 -17496 -6316 -2486 -6935 -3380 8606 1589 -7992 -14229 -14570 -5882 4712 -923 1014 5447 7540 3928 894 5151 7385 1523 -1721 649 2133 5610 6756 2725 2530 300 -670 1952 1219 4636 3232 4799 1438 1877 1052 386 3930 1331 1479 -203 -97 -245 -384 1 -645 -2008 -1812 -1146 -2734 -3033 -600 -1185 -1450 -392 -566 -627 527 893 669 -162 1173 -727 -686 -109 -41 -92 875 264 -128 -565 -1686 -1095 -357 -1031 -1701 -923 101 -327 561 220 599 700 12 593 -303 315 -139 -24 199 31 -79 633 614 281 225 263 149 445 206 161 277 -705 111 159 83 -339 -358 126 -10 408 -328 -479 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