File name: Pandora127s1_Mainz-MPIC_20250805_L2Fit_fout2c7d20250721p1-8.txt File generation date: 20251006T141727.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Thomas Wagner Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 127 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora127_OF_v4d20210611.txt Instrument calibration file used: Pandora127s1_CF_v7d20250721.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250805_L1_smca1c7d20250721p1-8.txt Full location name: Max-Planck-Institute for Chemistry, Mainz Short location name: Mainz-MPIC Country of location: Germany Location latitude [deg]: 49.9910 Location longitude [deg]: 8.2280 Location altitude [m]: 125 Local noon date: 20250805 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0738 305.2143 305.3549 305.4955 305.6360 305.7765 305.9170 306.0575 306.1980 306.3385 306.4790 306.6194 306.7599 306.9003 307.0408 307.1812 307.3216 307.4620 307.6023 307.7427 307.8830 308.0234 308.1637 308.3040 308.4443 308.5846 308.7249 308.8652 309.0054 309.1457 309.2859 309.4262 309.5664 309.7066 309.8468 309.9869 310.1271 310.2672 310.4074 310.5475 310.6876 310.8277 310.9678 311.1079 311.2480 311.3881 311.5281 311.6681 311.8082 311.9482 312.0882 312.2282 312.3681 312.5081 312.6481 312.7880 312.9279 313.0679 313.2078 313.3477 313.4875 313.6274 313.7673 313.9071 314.0470 314.1868 314.3266 314.4664 314.6062 314.7460 314.8857 315.0255 315.1652 315.3050 315.4447 315.5844 315.7241 315.8638 316.0034 316.1431 316.2828 316.4224 316.5620 316.7016 316.8412 316.9808 317.1204 317.2600 317.3995 317.5391 317.6786 317.8181 317.9576 318.0971 318.2366 318.3761 318.5155 318.6550 318.7944 318.9338 319.0733 319.2127 319.3521 319.4914 319.6308 319.7702 319.9095 320.0488 320.1881 320.3275 320.4667 320.6060 320.7453 320.8846 321.0238 321.1631 321.3023 321.4415 321.5807 321.7199 321.8591 321.9982 322.1374 322.2765 322.4157 322.5548 322.6939 322.8330 322.9721 323.1111 323.2502 323.3892 323.5283 323.6673 323.8063 323.9453 324.0843 324.2233 324.3622 324.5012 324.6401 324.7791 324.9180 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20250805T111759.7Z 9348.470830 277 1 11.54 2 33.31 173.40 140.28 75.18 0.00 1 0.00 1 0 25 1.248e-02 8.546e-03 5.613e-03 3.393e-03 1.655329e-01 1.729829e-03 2.141962e-03 -6.000000e+00 7.127967e-03 232.79 -2.00 3.76 -2.00 315.49 0.00e+00 5.275552e-04 1.609298e-04 4.315130e-05 -6.000000e+00 3.100144e-04 283.63 -2.00 20.00 -2.00 314.83 0.00e+00 1.196 0.000 302.00 328.00 3 5.5521e+00 4.5073e-03 1.5125e-02 -6.0000e+00 1.7937e-02 4.6389e-02 4.9965e-03 9.3061e-03 -6.0000e+00 1.9392e-02 -2.3796e-03 2.8599e-03 4.5017e-03 -6.0000e+00 1.1504e-02 -5.0545e-03 1.2909e-03 1.2618e-03 -6.0000e+00 4.8963e-03 5.3476e-04 -2.1363e-05 9.1786e-05 1.4407e-05 -6.0000e+00 3.1784e-04 3.9887e-04 0.0000e+00 12 9 1 12 1 1 99.99 22.01 0.30 0.00040 0.00024 8 9 1 8 0 1281.900 20.01 22.01 27.85 25.79 25.68 0.0 992.87 2371 -612 725 -3775 9 -6705 1172 1517 492 -1675 -2170 -1118 -1158 1959 -622 1756 -188 1632 -129 1335 1154 849 1748 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-537 1305 1405 499 336 569 -1141 -1184 -726 -1188 -1337 -1268 -253 -602 967 1010 1547 956 500 -378 -277 -259 -929 208 -311 235 -102 1073 441 1188 844 -447 909 18 -1 -188 -146 -399 171 102 -139 28 839 36 102 -134 -1334 -696 SS 20250805T112217.9Z 9348.473819 279 1 5.65 2 33.24 175.27 139.64 76.16 0.00 1 0.00 1 0 17 1.898e-02 1.300e-02 2.074e-02 9.243e-03 1.564080e-01 4.656639e-03 2.012117e-03 -6.000000e+00 1.084003e-02 232.79 -2.00 3.76 -2.00 316.72 0.00e+00 9.970436e-04 5.621864e-04 2.206695e-04 -6.000000e+00 4.714216e-04 283.63 -2.00 20.00 -2.00 315.97 0.00e+00 1.195 0.000 302.00 328.00 3 4.0588e+00 1.2302e-02 1.4739e-02 -6.0000e+00 2.7277e-02 -5.8511e-02 1.3715e-02 8.7150e-03 -6.0000e+00 2.9490e-02 6.9570e-02 7.9751e-03 4.2227e-03 -6.0000e+00 1.7494e-02 -2.1611e-02 3.7693e-03 1.2333e-03 -6.0000e+00 7.4470e-03 2.4395e-03 3.5810e-05 2.5585e-04 1.2075e-05 -6.0000e+00 4.8327e-04 -6.2097e-04 0.0000e+00 12 8 8 10 0 0 25.85 22.02 0.25 -0.00062 -0.00035 2334 3800 3 8 0 2.400 20.00 22.02 28.00 25.79 25.68 0.0 993.30 -1765 902 2305 -5502 -2338 -3796 -280 1302 -3344 -4307 -7380 1208 -3780 -1730 842 -1088 -1665 3035 550 908 -1922 -159 2515 1537 4198 2516 -31 -315 -3357 -528 1882 1855 1197 41 -3554 -1165 -5065 -1625 77 1233 -721 156 1705 749 118 993 -704 453 744 -981 2199 1393 577 513 1143 716 -276 -411 -666 195 521 1536 1595 4122 488 -547 -2427 -3059 -1010 1641 15 1279 852 1131 -259 -1702 -3667 -4424 -4388 -1958 -3226 -1577 -2654 -1416 -74 1043 501 1033 1409 1160 847 -207 -1075 -3000 -1585 -1345 183 1089 1086 455 529 -1513 -1836 -958 -1335 -1755 681 169 574 1432 1847 1890 1911 457 -381 -1075 -817 -1447 -777 537 -9 843 925 59 396 -185 -1891 -275 -960 -366 -235 -425 -1383 -769 165 161 437 1286 523 479 152 -739 -923 -322 172 440 -1043 -385 -605 -46 233 -692 -922 -1581 240 -857 -432 228 -321 -504 903 172 293 -646 -52 809 523 1461 920 -12 -110 -1125 -167 602 632 437 15 -1282 -399 -1934 -698 38 697 -450 100 1106 491 78 651 -457 281 446 -590 1334 902 393 364 825 527 -209 -310 -498 144 395 1228 1368 3647 443 -459 -1882 -2285 -778 1394 14 1245 837 1077 -237 -1428 -2835 -3209 -3243 -1567 -2884 -1522 -2731 -1496 -83 1241 632 1345 1839 1473 1015 -228 -1077 -2902 -1556 -1439 211 1361 1451 606 665 -1793 -2056 -1098 -1672 -2348 927 241 843 2184 2939 3037 2942 664 -510 -1347 -1005 -1862 -1060 784 -14 1278 1366 85 538 -243 -2364 -332 -1228 -493 -331 -610 -2011 -1133 256 264 735 2181 908 821 254 -1210 -1469 SS 20250805T112223.7Z 9348.473886 279 2 5.64 2 33.24 175.32 139.63 76.19 0.00 1 0.00 1 0 17 1.876e-02 1.320e-02 1.571e-02 7.109e-03 1.562349e-01 3.586015e-03 2.006825e-03 -6.000000e+00 1.071640e-02 232.79 -2.00 3.76 -2.00 316.64 0.00e+00 8.643691e-04 4.255009e-04 2.074720e-04 -6.000000e+00 4.660631e-04 283.63 -2.00 20.00 -2.00 315.90 0.00e+00 1.195 0.000 302.00 328.00 3 3.7656e+00 9.4675e-03 1.4732e-02 -6.0000e+00 2.6966e-02 -3.3973e-02 1.0554e-02 8.7031e-03 -6.0000e+00 2.9154e-02 7.1488e-02 6.1317e-03 4.2134e-03 -6.0000e+00 1.7295e-02 -3.0626e-02 2.8882e-03 1.2060e-03 -6.0000e+00 7.3617e-03 3.2519e-03 1.1592e-04 1.9677e-04 1.2106e-05 -6.0000e+00 4.7780e-04 -1.7782e-04 0.0000e+00 12 8 8 10 0 0 18.99 22.02 0.06 -0.00018 0.00069 2334 3800 3 8 0 2.400 20.00 22.02 28.00 25.79 25.68 0.0 993.30 1600 -875 -1509 -5195 -2048 -5712 -5293 44 -219 332 -4284 -6 -4563 -2168 -1518 -176 2351 2558 2771 1907 -1237 1833 1466 1470 1462 1334 -568 -2758 -2790 -617 2238 622 1533 -2451 -4725 -3568 -3492 245 1113 803 -355 -680 706 1378 967 1994 445 1085 -644 -1737 797 929 580 109 964 967 563 708 -635 -307 842 1790 1548 3344 1046 -134 -2570 -1951 -756 -57 202 1194 1039 521 -680 -1257 -3474 -5897 -4204 -3714 -2421 -1356 -2800 -1990 -361 997 791 1897 1140 1545 963 -204 -1289 -2221 -1839 -1020 180 1234 1258 760 633 -1775 -2386 -1663 -791 -1088 -301 349 375 2016 1896 2127 1779 200 -933 -409 -1048 -1173 -567 241 187 542 557 -15 819 -848 -1622 -399 -595 -1116 -272 -735 -660 -631 -74 692 315 1059 605 371 -341 18 -1031 287 -171 -299 -990 -340 -934 -915 8 -45 70 -904 -1 -1059 -551 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