File name: Pandora32s1_GreenbeltMD_20250421_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250422T051154.0Z 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_20250421_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: 20250421 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 20250421T111523.0Z 9242.469016 158 1 48.12 2 80.67 82.02 62.87 171.49 0.00 1 0.00 1 0 25 5.480e-01 3.416e-02 3.043e-01 1.810e-02 7.181845e-01 1.016551e-02 8.263813e-03 -6.000000e+00 3.212063e-01 229.23 -2.00 3.47 -2.00 321.54 0.00e+00 5.310315e-03 4.878510e-03 2.823277e-03 -6.000000e+00 1.521088e-02 281.81 -2.00 20.00 -2.00 321.00 0.00e+00 5.867 0.003 302.00 328.00 3 3.8435e+00 3.5234e-02 7.0571e-02 -6.0000e+00 8.0572e-01 6.6556e-01 4.3798e-02 4.0897e-02 -6.0000e+00 8.7853e-01 -9.5916e-01 3.5363e-02 1.9919e-02 -6.0000e+00 5.1351e-01 4.0655e-01 1.7218e-02 5.6118e-03 -6.0000e+00 2.1673e-01 1.5163e-05 -3.3016e-03 5.1825e-04 9.9677e-05 -6.0000e+00 1.5323e-02 1.6539e-02 -3.8706e-04 12 9 8 11 8 0 99.99 21.16 1.22 0.01654 -0.00827 17 4 1 5 0 2830.270 26.11 20.07 21.16 18.64 5.7 973.70 900000 -111196 -66050 7806 -35848 -103392 900000 900000 -129336 900000 -92028 -68592 900000 -40505 -70402 22589 -40626 36424 137743 900000 -19943 -34858 182171 -32145 112544 312746 900000 685 173790 -58053 900000 -22540 900000 35484 -18946 1524 -20395 14712 46927 92171 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-2560 3957 3789 -1492 2874 -635 4501 -1439 -811 3487 -856 7003 -2730 -2802 769 -980 -949 -593 185 -2619 -5 -4975 -5790 -4682 -5081 -2366 -2833 -386 -1950 -3382 -5700 -150 -1205 1386 2217 444 3727 1332 225 1557 2196 2810 6818 -1273 3749 1801 1879 493 1636 7722 -1490 4674 -2661 1853 -228 1671 -1713 -10718 3127 67 514 -404 -2253 SS 20250421T115654.9Z 9242.497858 182 1 1.67 2 72.63 88.40 62.31 181.99 0.00 1 0.00 1 0 17 7.827e-02 8.465e-03 7.254e-02 6.374e-03 4.442777e-01 3.242437e-03 5.103981e-03 -6.000000e+00 4.496187e-02 229.23 -2.00 3.47 -2.00 318.99 0.00e+00 1.591983e-03 7.621720e-04 1.831023e-04 -6.000000e+00 1.961869e-03 281.81 -2.00 20.00 -2.00 318.30 0.00e+00 3.301 0.001 302.00 328.00 3 2.2747e+00 8.9608e-03 3.9964e-02 -6.0000e+00 1.1217e-01 1.2560e-02 1.0330e-02 2.2903e-02 -6.0000e+00 1.2151e-01 -3.2363e-02 7.6400e-03 1.1334e-02 -6.0000e+00 7.2270e-02 7.7749e-03 4.0485e-03 3.6804e-03 -6.0000e+00 3.0753e-02 1.2175e-03 1.2089e-04 1.7801e-04 3.5823e-05 -6.0000e+00 2.0851e-03 -8.0889e-03 -4.6549e-04 12 9 1 12 1 1 -23.84 21.35 0.32 -0.00809 -0.00718 3 27 1 5 0 415.540 26.21 20.01 21.35 19.81 5.7 980.59 16383 11433 -42772 1574 -39069 23619 -31771 -1522 -675 -17291 20587 -14520 21669 -17586 -14320 3502 -15799 13027 -6669 -3351 -1474 565 6788 -3248 11228 -7545 -117 -858 -7095 1261 -568 -1419 2488 5268 -8856 -1932 5100 -4799 3312 -1140 832 -951 -1696 2348 -104 -1055 -2118 1104 447 -3758 2065 944 2249 3721 1509 2076 -847 1095 -205 1228 562 3005 2249 355 543 -292 870 -455 238 1935 811 226 -347 -565 -183 -1647 -155 -1567 -533 -544 -1673 -358 -1986 -1650 -680 -927 -189 -650 324 1125 2016 -310 -833 353 1211 -353 -983 500 736 81 -601 -96 152 -233 -407 -561 -915 52 -271 504 157 -765 461 -24 325 75 129 991 527 214 -1634 357 -23 1030 -62 155 531 782 558 536 -220 -999 69 216 -368 289 -356 569 -300 -111 514 -317 -670 316 269 -1792 43 -1437 457 -1076 -44 -22 -706 606 -621 763 -1077 -1018 244 -1444 979 -642 -328 -147 56 641 -357 1163 -979 -14 -104 -874 145 -72 -206 391 866 -1612 -319 835 -986 755 -316 251 -311 -579 792 -36 -373 -762 388 159 -1419 788 393 991 1716 738 1040 -445 569 -106 620 290 1611 1314 227 359 -190 536 -280 153 1352 619 180 -280 -445 -137 -1159 -100 -996 -349 -394 -1354 -312 -1866 -1607 -686 -982 -207 -733 365 1241 2121 -315 -807 333 1190 -379 -1150 626 974 108 -785 -118 176 -272 -497 -717 -1206 71 -383 748 244 -1235 738 -37 486 108 184 1444 799 337 -2637 564 -35 1559 -93 224 745 1094 820 839 -362 -1698 120 381 -678 548 -689 1108 -590 -215 971 -584 -1213 SS 20250421T162709.1Z 9242.685522 364 1 7.32 2 28.24 159.59 88.15 239.02 0.00 1 0.00 1 0 17 7.275e-03 5.951e-03 1.718e-03 1.271e-03 1.615975e-01 6.567055e-04 1.954653e-03 -6.000000e+00 4.180754e-03 229.25 -2.00 3.47 -2.00 314.49 0.00e+00 2.139089e-04 5.098027e-05 1.350393e-05 -6.000000e+00 1.823848e-04 281.83 -2.00 20.00 -2.00 313.96 0.00e+00 1.135 0.000 302.00 328.00 3 3.4341e+00 1.6821e-03 1.4003e-02 -6.0000e+00 1.0431e-02 1.6797e-02 1.8603e-03 8.2409e-03 -6.0000e+00 1.1297e-02 -1.1813e-03 1.0662e-03 4.0351e-03 -6.0000e+00 6.7201e-03 -2.4222e-03 4.6641e-04 1.1310e-03 -6.0000e+00 2.8587e-03 4.7615e-03 1.0531e-04 3.5241e-05 1.5034e-05 -6.0000e+00 1.9374e-04 2.6491e-03 -6.4395e-06 12 1 1 12 1 1 99.97 21.70 0.36 0.00265 0.00344 18 30 1 5 0 384.890 26.51 20.01 21.70 24.55 5.8 1007.70 1038 -996 -516 -1764 -1695 -1228 -811 503 1281 410 -1305 -490 600 40 629 120 28 467 673 1070 808 212 1495 705 366 135 -233 -438 -17 78 941 779 1479 62 -2307 -1067 -1543 -942 -195 -767 -790 -515 -879 -916 -484 -470 -629 -417 -771 -336 428 798 1079 765 624 1061 1057 371 511 776 954 1325 1328 1076 148 -378 -227 -227 549 754 26 100 -111 230 150 -58 -239 -757 -362 -727 -862 -1407 -1867 -1537 -929 -621 -183 -20 118 496 374 349 -19 591 729 252 131 691 259 -295 -186 -526 -378 184 -377 -1126 -608 -650 -272 300 174 320 102 450 119 325 250 195 37 154 -283 -61 119 255 545 613 76 1005 491 342 251 -137 -258 149 230 -128 -59 15 -233 -207 -88 -368 -595 377 -407 -216 -712 -650 -425 -281 190 500 172 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