File name: Pandora32s1_GreenbeltMD_20241207_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241209T084800.6Z 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 v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241207_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: 20241207 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 20241207T130015.5Z 9107.541846 55 1 48.35 2 83.17 126.65 136.90 65.30 0.00 1 0.00 1 0 25 3.686e-01 2.372e-02 1.521e-01 7.207e-03 9.299449e-01 4.010943e-03 1.034761e-02 -6.000000e+00 2.069289e-01 223.24 -2.00 3.47 -2.00 322.09 0.00e+00 1.357569e-02 2.153731e-03 2.692816e-03 -6.000000e+00 9.132358e-03 279.07 -2.00 20.00 -2.00 321.65 0.00e+00 7.686 0.008 302.00 328.00 3 5.5954e-01 1.4753e-02 9.4018e-02 -6.0000e+00 5.0966e-01 1.1298e+00 1.8651e-02 6.3944e-02 -6.0000e+00 5.5478e-01 -1.5702e+00 1.5499e-02 2.5724e-02 -6.0000e+00 3.3098e-01 6.4943e-01 7.5837e-03 1.4894e-02 -6.0000e+00 1.4215e-01 5.8082e-05 -2.5178e-03 1.8261e-04 1.7186e-04 -6.0000e+00 9.8034e-03 3.3365e-03 -1.5164e-04 12 8 8 10 0 0 -3.82 19.43 0.90 0.00334 -0.01558 62 15 1 5 0 779.690 24.65 19.56 19.43 2.54 5.1 877.53 -52771 -61281 -73848 -84004 -32480 -137703 18115 -102663 -73502 -114482 -84631 -119610 -93992 -41414 -816 -2354 -55233 -20324 2069 14026 5011 -29064 37641 -45914 -35658 11294 -27401 -9922 -50618 -66208 31063 -24456 29392 13401 57112 -2726 37784 36874 -719 77411 44157 71902 11214 63096 66244 34655 43699 58312 72384 21887 41773 46295 33738 64654 35916 43908 44094 25520 39825 17679 39454 14916 17556 25948 12467 33407 24707 26730 15228 24820 16184 12144 16587 11789 5281 89 1552 -2718 -10564 996 -4367 3150 -2249 568 3720 -939 7068 898 2726 1156 -1173 6175 -2913 -4922 -4671 -3626 -2933 -2459 -554 -3354 -1144 -2499 -4498 -3251 -6280 -3040 -3429 -3144 -3222 -1796 -1695 -916 385 -700 229 -322 -605 -568 -118 843 1801 2488 3031 1913 2199 2028 2292 677 397 1475 1135 1849 406 249 186 -253 5 -956 256 -317 -560 -680 -1691 -1349 -1997 -2831 -3328 -643 -6511 162 -2952 -1550 -3511 -1839 -3821 -2883 -1106 -19 -68 -2788 -779 73 434 162 -1205 741 -2033 -1403 270 -924 -265 -1957 -3164 677 -1169 971 565 1485 -117 1062 1140 -37 2122 1862 2426 717 2439 2468 1778 2089 2500 2849 1523 2613 3091 2798 4226 3282 3765 3781 2565 3275 1715 3050 1583 2085 3301 2024 4508 3612 3945 2740 4640 3674 2731 3871 2685 1147 18 281 -522 -2487 256 -1306 1026 -874 231 1543 -431 3139 439 1310 548 -536 2462 -1234 -2214 -2397 -2212 -2138 -2113 -534 -3208 -1122 -2228 -3589 -2420 -5052 -2535 -3037 -2999 -3438 -2016 -2209 -1325 580 -1069 337 -460 -867 -850 -186 1375 2877 3744 4293 2660 2970 2668 2917 904 612 2671 2366 3892 931 616 496 -716 13 -2619 744 -894 -1466 -1630 -3824 SS 20241207T131114.0Z 9107.549468 58 1 48.64 2 81.48 128.56 135.00 67.75 0.00 1 0.00 1 0 25 6.189e-01 1.614e-02 7.245e-02 2.766e-03 8.076944e-01 1.482377e-03 9.047573e-03 -6.000000e+00 3.474339e-01 223.24 -2.00 3.47 -2.00 321.59 0.00e+00 7.528242e-03 7.708337e-04 1.585569e-03 -6.000000e+00 1.533475e-02 279.07 -2.00 20.00 -2.00 321.11 0.00e+00 6.360 0.004 302.00 328.00 3 5.2508e-01 5.1916e-03 7.5544e-02 -6.0000e+00 8.5572e-01 3.9106e-01 7.2605e-03 4.3369e-02 -6.0000e+00 9.3155e-01 -5.9732e-01 7.3465e-03 2.4603e-02 -6.0000e+00 5.5576e-01 2.5246e-01 3.4517e-03 1.0670e-02 -6.0000e+00 2.3863e-01 2.6544e-04 -1.4594e-03 7.2082e-05 1.3864e-04 -6.0000e+00 1.6465e-02 4.5662e-03 -1.6354e-04 12 8 8 10 0 0 94.11 19.32 0.60 0.00457 -0.00640 163 38 1 5 0 298.350 24.56 20.47 19.32 3.01 5.2 880.55 -185291 -178057 -201591 -168923 -194182 -210677 -203274 -216739 -180876 -171710 -170201 -183291 -140209 -133094 -82294 -54824 -72055 -47799 -55724 -24346 -41091 -44976 -18090 -75393 -17909 -56938 -42195 -47606 -60267 -42259 -23411 -11579 7731 1751 -5389 -25783 -674 -12916 10802 24502 15134 24026 3405 18536 22173 22243 17095 16602 20141 13396 18409 17242 19967 25013 15765 20862 12804 12534 7550 6891 11902 7699 11039 11078 10665 9561 8975 10974 6339 9600 6280 3943 5562 2778 2565 -557 1459 -2432 -2073 -1190 -518 -685 -2666 -698 -238 -1113 342 -112 347 -398 -174 384 -1820 -1793 -2714 -1707 -1868 -1032 -540 -1367 -705 -1751 -1632 -1350 -2153 -2354 -1604 -1486 -854 -424 -30 -40 353 331 259 19 -385 -12 237 206 419 1210 1026 1129 1197 1129 803 1006 764 521 876 662 254 182 8 -197 -338 -311 10 -186 125 -679 -1051 -2449 -2690 -4242 -2552 -3405 -3978 -3564 -4678 -2976 -2733 -2755 -3708 -2345 -2801 -1376 -873 -1594 -928 -1278 -427 -865 -959 -293 -2278 -324 -1582 -1024 -1194 -1691 -1060 -587 -325 215 58 -188 -1043 -22 -547 437 1038 804 1270 234 1135 1328 1362 1139 1164 1451 1113 1619 1740 2181 2841 1910 2502 1711 1675 1024 907 1503 1103 1762 2051 2194 2024 1893 2339 1548 2623 1991 1353 1873 908 764 -152 360 -630 -599 -412 -214 -331 -1356 -374 -134 -676 216 -74 228 -256 -105 217 -1011 -1025 -1767 -1301 -1688 -997 -585 -1553 -761 -1712 -1534 -1218 -2072 -2427 -1599 -1590 -1003 -568 -43 -62 564 524 394 28 -562 -18 380 346 696 1905 1540 1643 1817 1660 1143 1469 1180 940 1657 1363 558 428 20 -495 -874 -813 25 -471 294 -1589 -2336 SS 20241207T132722.1Z 9107.560673 63 1 48.64 2 79.08 131.44 132.15 71.13 0.00 1 0.00 1 0 25 4.455e-01 9.120e-03 3.032e-02 1.147e-03 6.684833e-01 5.954985e-04 7.586581e-03 -6.000000e+00 2.500843e-01 223.23 -2.00 3.47 -2.00 320.72 0.00e+00 4.181508e-03 2.463652e-04 6.746394e-04 -6.000000e+00 1.103748e-02 279.07 -2.00 20.00 -2.00 320.19 0.00e+00 5.087 0.002 302.00 328.00 3 4.2172e-01 1.8447e-03 6.0566e-02 -6.0000e+00 6.1595e-01 8.9446e-02 2.4349e-03 3.4594e-02 -6.0000e+00 6.7051e-01 -1.4672e-01 2.4440e-03 1.8887e-02 -6.0000e+00 4.0003e-01 5.7985e-02 1.2092e-03 7.5562e-03 -6.0000e+00 1.7178e-01 1.1428e-03 -1.0032e-03 3.0327e-05 7.8006e-05 -6.0000e+00 1.1850e-02 4.0013e-03 -1.5613e-04 11 8 0 10 0 0 15.19 19.41 0.42 0.00400 -0.00354 346 81 1 5 0 140.560 24.65 21.12 19.41 4.10 5.2 886.98 -140267 -158916 -140607 -153888 -144252 -146531 -152707 -134999 -144703 -120732 -123705 -115847 -92372 -86222 -52890 -52824 -44978 -33665 -25004 -20031 -24902 -30923 -28543 -28976 -17167 -22743 -18938 -27677 -29791 -26293 -15761 -5221 -2846 -3617 -8334 -7772 -6458 -5065 556 2001 3116 2252 554 4765 5066 6236 2725 4704 3521 2575 5074 4817 5527 5330 4390 4757 3207 3235 1670 2431 2387 3451 3963 4286 3746 2337 2546 1221 1340 2271 1203 1111 507 549 -513 -1149 -1046 -1907 -2223 -1471 -1548 -1468 -2250 -1767 -1262 -1063 -450 -103 235 578 452 652 -326 -609 -288 -330 -167 330 170 -74 -243 -877 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