File name: Pandora127s1_Mainz-MPIC_20250610_L2Fit_fout2c4d20250305p1-8.txt File generation date: 20250904T073023.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 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_v4d20250305.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250610_L1_smca1c4d20250305p1-8.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: 20250610 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]: 305.0725 305.2131 305.3536 305.4941 305.6347 305.7752 305.9156 306.0561 306.1966 306.3370 306.4775 306.6179 306.7583 306.8988 307.0392 307.1795 307.3199 307.4603 307.6006 307.7410 307.8813 308.0216 308.1619 308.3022 308.4425 308.5828 308.7230 308.8633 309.0035 309.1438 309.2840 309.4242 309.5644 309.7046 309.8447 309.9849 310.1250 310.2652 310.4053 310.5454 310.6855 310.8256 310.9657 311.1058 311.2458 311.3859 311.5259 311.6659 311.8059 311.9459 312.0859 312.2259 312.3659 312.5058 312.6457 312.7857 312.9256 313.0655 313.2054 313.3453 313.4852 313.6250 313.7649 313.9047 314.0445 314.1844 314.3242 314.4639 314.6037 314.7435 314.8833 315.0230 315.1627 315.3025 315.4422 315.5819 315.7216 315.8612 316.0009 316.1406 316.2802 316.4198 316.5594 316.6991 316.8386 316.9782 317.1178 317.2574 317.3969 317.5365 317.6760 317.8155 317.9550 318.0945 318.2340 318.3734 318.5129 318.6523 318.7918 318.9312 319.0706 319.2100 319.3494 319.4888 319.6281 319.7675 319.9068 320.0461 320.1855 320.3248 320.4641 320.6033 320.7426 320.8819 321.0211 321.1604 321.2996 321.4388 321.5780 321.7172 321.8564 321.9955 322.1347 322.2738 322.4129 322.5521 322.6912 322.8303 322.9693 323.1084 323.2475 323.3865 323.5256 323.6646 323.8036 323.9426 324.0816 324.2206 324.3595 324.4985 324.6374 324.7763 324.9153 --------------------------------------------------------------------------------------- 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 20250610T064316.7Z 9292.280054 241 1 8.75 2 60.40 88.68 131.28 276.38 0.00 1 0.00 1 0 17 1.442e-02 7.233e-03 8.099e-03 2.228e-03 3.053580e-01 1.131749e-03 3.883430e-03 -6.000000e+00 8.297319e-03 232.93 -2.00 3.76 -2.00 317.50 0.00e+00 6.193099e-04 1.678536e-04 2.779887e-04 -6.000000e+00 3.556328e-04 280.10 -2.00 20.00 -2.00 316.81 0.00e+00 2.016 0.000 302.00 328.00 3 3.6476e+00 3.0243e-03 2.6505e-02 -6.0000e+00 2.0903e-02 1.2466e-02 3.3874e-03 1.7164e-02 -6.0000e+00 2.2608e-02 -6.0911e-03 2.0765e-03 8.3409e-03 -6.0000e+00 1.3383e-02 -2.1271e-03 1.0418e-03 2.3076e-03 -6.0000e+00 5.6628e-03 1.2776e-03 -2.2018e-04 6.1442e-05 2.3216e-05 -6.0000e+00 3.7559e-04 3.4106e-03 0.0000e+00 12 9 1 12 1 1 93.85 25.47 0.23 0.00341 0.00176 12 17 4 8 0 672.940 20.06 162.77 23.93 25.47 25.39 0.0 974.37 3312 -1901 -651 -5211 -6001 58 -4794 -2629 -1025 -4849 -4459 -1988 -1127 98 580 207 -31 -191 1681 1286 -698 87 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-325 -180 -546 -673 -396 -1162 -1228 -675 -514 145 1085 991 1180 924 553 -62 70 -402 -132 461 274 39 29 947 730 808 631 -238 1131 660 281 -230 -970 -348 -742 157 17 -14 774 614 -31 -237 -1436 -883 SS 20250610T064843.2Z 9292.283833 244 1 14.56 2 59.53 89.71 132.12 277.47 0.00 1 0.00 1 0 17 1.456e-02 6.706e-03 1.063e-02 2.745e-03 2.969017e-01 1.393018e-03 3.765270e-03 -6.000000e+00 8.378113e-03 232.93 -2.00 3.76 -2.00 317.66 0.00e+00 5.312389e-04 2.149815e-04 2.183727e-04 -6.000000e+00 3.591002e-04 280.10 -2.00 20.00 -2.00 316.97 0.00e+00 1.964 0.000 302.00 328.00 3 4.4694e+00 3.7347e-03 2.5802e-02 -6.0000e+00 2.1106e-02 1.3746e-02 4.1893e-03 1.6696e-02 -6.0000e+00 2.2828e-02 -2.7413e-06 2.5924e-03 8.1163e-03 -6.0000e+00 1.3513e-02 -5.8707e-03 1.3074e-03 2.2508e-03 -6.0000e+00 5.7179e-03 5.9723e-04 -5.2618e-05 7.6385e-05 2.2726e-05 -6.0000e+00 3.7926e-04 3.5492e-03 0.0000e+00 12 9 1 12 1 1 96.57 25.47 0.18 0.00355 0.00315 9 8 1 8 0 1455.650 20.01 162.73 24.45 25.47 25.39 0.0 977.23 -644 -5940 2236 -7360 -4909 -496 1856 -2879 -1405 -3240 -1632 -971 -950 -235 -865 -802 210 3229 856 -660 -601 -786 2386 737 576 1722 -715 -669 -1979 37 1529 504 806 -2719 -3736 -3049 -3191 -1961 -552 132 -559 -560 -955 111 -159 -893 -762 -259 -80 -107 949 1349 1272 1740 94 1423 1333 16 817 -100 985 1093 2161 2602 991 -205 -217 -690 596 1121 478 306 401 -207 775 -658 -816 -2225 -931 -1134 -1286 -1376 -2257 -1440 -679 -825 -171 -55 452 353 561 -76 -693 327 -50 -132 398 953 438 -97 20 -632 -223 -151 -1001 -1319 -441 -220 -159 452 581 243 115 67 78 205 -146 -66 503 -20 -106 228 737 587 589 313 -230 953 384 -89 61 -657 -390 -184 102 102 110 525 57 -105 -347 -569 -360 -53 -564 201 -681 -399 -37 147 -269 -145 -354 -174 -107 -119 -34 -143 -146 40 618 175 -142 -131 -170 516 172 143 439 -185 -164 -462 8 368 134 232 -829 -1083 -861 -978 -685 -226 61 -283 -294 -516 60 -86 -487 -409 -137 -42 -56 519 784 777 1108 62 952 908 11 547 -67 672 788 1662 2103 815 -160 -160 -500 452 940 432 286 374 -189 669 -529 -608 -1608 -691 -930 -1154 -1337 -2322 -1524 -750 -958 -206 -67 556 425 643 -82 -707 322 -52 -146 473 1215 590 -130 26 -771 -259 -177 -1259 -1731 -595 -306 -229 677 905 384 180 101 110 276 -196 -91 723 -30 -162 347 1099 856 831 429 -304 1243 526 -130 91 -1016 -608 -293 168 174 192 926 102 -185 -599 -960 -593 SS 20250610T065307.9Z 9292.286897 246 1 12.65 2 58.82 90.56 132.79 278.36 0.00 1 0.00 1 0 17 1.302e-02 6.656e-03 7.027e-03 2.067e-03 2.913621e-01 1.049558e-03 3.702758e-03 -6.000000e+00 7.488055e-03 232.93 -2.00 3.76 -2.00 317.39 0.00e+00 6.253213e-04 1.507320e-04 1.426813e-04 -6.000000e+00 3.209441e-04 280.10 -2.00 20.00 -2.00 316.70 0.00e+00 1.924 0.000 302.00 328.00 3 3.9361e+00 2.8000e-03 2.5291e-02 -6.0000e+00 1.8864e-02 1.6847e-02 3.1341e-03 1.6374e-02 -6.0000e+00 2.0403e-02 -3.0454e-03 1.9050e-03 7.9556e-03 -6.0000e+00 1.2078e-02 -4.8867e-03 9.4820e-04 2.2214e-03 -6.0000e+00 5.1106e-03 1.0662e-03 -1.1370e-04 5.7121e-05 2.2635e-05 -6.0000e+00 3.3895e-04 3.2915e-03 0.0000e+00 12 9 1 12 1 1 96.25 25.47 0.21 0.00329 0.00244 13 13 1 8 0 902.830 20.02 162.77 24.90 25.47 25.39 0.0 978.69 -2222 -5005 -2149 -2879 -4603 -1893 790 -1283 -1487 -869 -3987 -4164 -910 -177 1358 -258 977 32 1844 2156 165 1940 983 1854 61 -75 -1594 -670 -1198 659 73 630 1252 -2012 -3690 -4327 -2504 -1341 -444 -429 -577 98 -525 -242 228 438 -433 -235 -1098 603 684 701 784 1137 483 1008 826 434 210 363 1131 1262 2257 1668 251 -252 -653 -461 1243 731 425 689 -23 582 -281 5 -809 -1413 -478 -1299 -1348 -1735 -2282 -1438 -682 -520 -317 -19 608 315 759 307 -132 420 -60 26 263 1065 453 -195 -101 -610 -624 -322 -977 -1271 -580 -881 50 587 706 511 170 59 -233 146 149 -87 133 297 -338 123 600 593 784 70 -59 812 369 -73 266 -415 -214 -240 215 -153 121 631 115 -182 -261 -706 -438 -218 -547 -233 -295 -431 -168 73 -136 -177 -106 -502 -545 -130 -29 250 -52 205 7 419 508 40 462 240 476 17 -21 -460 -182 -308 167 20 184 394 -667 -1169 -1346 -829 -508 -195 -215 -311 54 -301 -138 131 251 -246 -131 -615 335 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