File name: Pandora127s1_Mainz-MPIC_20251125_L2Fit_fout2c8d20250721p1-8.txt File generation date: 20251125T231855.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c8p1-8 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_v8d20250721.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20251125_L1_smca1c8d20250721p1-8.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: 20251125 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 20251125T111910.0Z 9460.471644 161 1 48.60 2 70.84 181.24 91.95 126.70 0.00 1 0.00 1 0 17 3.739e-02 6.030e-03 7.632e-03 7.098e-04 4.168865e-01 3.489399e-04 5.295265e-03 -6.000000e+00 2.042986e-02 221.09 -2.00 3.76 -2.00 319.27 0.00e+00 1.431612e-03 8.687301e-05 4.317067e-04 -6.000000e+00 8.838132e-04 271.72 -2.00 20.00 -2.00 318.78 0.00e+00 3.012 0.001 302.00 328.00 3 1.6642e+00 9.5730e-04 3.6997e-02 -6.0000e+00 5.0236e-02 6.0175e-02 1.1150e-03 2.2488e-02 -6.0000e+00 5.4889e-02 -2.2725e-02 8.9592e-04 1.1727e-02 -6.0000e+00 3.2634e-02 -4.5008e-04 4.8111e-04 3.8746e-03 -6.0000e+00 1.4097e-02 3.1055e-03 -1.6530e-04 1.9483e-05 3.7914e-05 -6.0000e+00 9.4941e-04 4.3788e-04 0.0000e+00 10 0 0 10 0 0 99.68 20.50 0.20 0.00044 -0.00080 302 71 2 8 0 160.890 20.01 20.50 15.47 25.47 25.28 0.4 923.79 -7152 -8830 -6593 -13483 -14895 -19933 -9166 -10429 -7797 -10644 -12324 -10760 -9005 -3334 -2087 81 -2333 221 -171 1405 -433 405 143 -1410 -157 -2310 -2871 -4511 -3172 -2515 -1425 -31 560 -2430 -4644 -4644 -3979 -1508 -978 -486 -890 -371 -206 -209 827 324 -133 34 -302 -152 1110 884 1421 1197 778 900 713 402 28 350 781 1714 2146 2527 838 219 -577 -909 898 1039 970 822 632 763 236 -648 -1129 -2342 -1363 -1227 -1286 -1383 -2450 -1599 -797 -410 215 287 768 664 743 248 -484 -300 -230 -225 264 870 471 112 -136 -894 -844 -144 -702 -1194 -801 -837 -39 420 577 334 250 22 -277 -19 6 21 399 160 -29 283 618 459 655 156 -485 565 181 16 -1 -529 -445 -209 36 -25 66 541 252 24 -112 -494 -473 -183 -259 -197 -406 -406 -553 -247 -326 -268 -398 -471 -434 -426 -182 -122 5 -168 17 -14 116 -37 34 12 -134 -16 -249 -312 -521 -344 -276 -173 -4 78 -365 -667 -649 -604 -265 -209 -122 -249 -109 -63 -65 254 101 -42 11 -95 -49 383 336 577 520 354 421 343 193 13 161 367 867 1202 1549 537 133 -331 -518 543 723 682 605 464 534 167 -414 -658 -1334 -823 -856 -945 -1142 -2212 -1500 -791 -434 239 329 878 735 762 235 -426 -259 -213 -236 312 1061 627 149 -170 -1103 -954 -164 -874 -1464 -1022 -1124 -56 647 962 539 397 35 -416 -27 8 31 612 261 -49 460 968 695 944 217 -640 797 258 25 -2 -944 -756 -369 68 -50 134 1118 527 49 -219 -919 -845 SS 20251125T112551.8Z 9460.476294 164 1 48.20 2 70.88 182.90 91.11 127.92 0.00 1 0.00 1 0 17 1.001e-01 9.390e-03 8.883e-02 6.085e-03 4.166001e-01 2.993410e-03 5.260027e-03 -6.000000e+00 5.471109e-02 221.09 -2.00 3.76 -2.00 319.65 0.00e+00 1.310027e-03 8.226872e-04 4.161900e-04 -6.000000e+00 2.366703e-03 271.71 -2.00 20.00 -2.00 319.16 0.00e+00 3.018 0.001 302.00 328.00 3 4.9570e+00 8.3426e-03 3.7036e-02 -6.0000e+00 1.3453e-01 8.1671e-02 9.8495e-03 2.2486e-02 -6.0000e+00 1.4699e-01 -1.3860e-02 8.2835e-03 1.1786e-02 -6.0000e+00 8.7391e-02 -5.1558e-03 4.4204e-03 3.9182e-03 -6.0000e+00 3.7754e-02 1.1293e-04 -1.6187e-04 1.7126e-04 3.9606e-05 -6.0000e+00 2.5421e-03 -3.1658e-04 0.0000e+00 12 8 8 10 0 0 99.95 20.52 0.38 -0.00032 -0.00153 26 6 1 8 0 1853.690 19.90 20.52 16.12 25.47 25.39 0.4 926.40 54630 3688 -21608 14111 -47441 -3561 -32912 -5282 -34982 41375 -31077 -23040 -11700 7794 -1655 -3649 14462 -6048 23142 -3948 9073 -2864 17046 -15744 3267 5972 -8663 1181 -8704 1498 -2566 6012 -4806 1379 -2306 2477 -4883 -3774 2975 -527 2318 -3475 2493 -1417 -448 -2376 -658 543 -1403 -1078 269 -212 -878 3830 -792 3720 -930 428 -222 1313 2314 -7 1950 1904 2771 -843 864 -2053 2653 1884 2112 1000 -179 1309 167 881 -3787 -835 -3261 -697 -3235 -1749 -2438 -1977 -1033 -1107 2133 288 2568 -754 1130 -658 -159 -731 29 -1021 766 829 467 764 -314 -563 -1380 98 -1043 -954 -948 -418 0 -127 1019 256 145 -353 369 -560 -332 -275 -42 780 -10 682 254 599 39 544 -1317 1042 42 820 428 -661 -634 -909 145 -231 431 315 618 -161 371 -678 -562 638 78 -604 267 -1455 -70 -923 -130 -1284 778 -1175 -861 -466 311 -86 -220 786 -429 1312 -304 630 -220 1119 -1523 284 533 -887 105 -814 130 -257 631 -628 178 -290 290 -670 -605 545 -117 556 -930 653 -392 -123 -672 -182 149 -396 -312 83 -72 -321 1426 -320 1488 -399 180 -92 526 943 -3 960 1024 1518 -453 428 -1041 1386 1136 1393 697 -126 868 104 489 -2009 -417 -1775 -428 -2312 -1375 -2088 -1765 -974 -1107 2182 308 2701 -792 1092 -600 -134 -607 25 -1022 847 1020 624 1016 -399 -650 -1482 105 -1228 -1185 -1230 -565 0 -196 1670 438 245 -569 552 -795 -467 -401 -65 1261 -17 1102 401 912 56 764 -1782 1380 60 1292 721 -1168 -1148 -1712 285 -480 910 679 1340 -343 756 -1332 -1065 SS 20251125T122440.2Z 9460.517131 193 1 4.71 2 72.54 197.26 84.36 139.11 0.00 1 0.00 1 0 25 2.934e-01 1.219e-02 1.598e-01 1.025e-02 4.452320e-01 4.999570e-03 5.636135e-03 -6.000000e+00 1.603092e-01 221.09 -2.00 3.76 -2.00 319.07 0.00e+00 3.026831e-03 1.188866e-03 5.405129e-04 -6.000000e+00 6.934624e-03 271.71 -2.00 20.00 -2.00 318.58 0.00e+00 3.287 0.001 302.00 328.00 3 4.0370e+00 1.3591e-02 3.9968e-02 -6.0000e+00 3.9419e-01 8.3132e-02 1.5740e-02 2.3866e-02 -6.0000e+00 4.3069e-01 -3.5721e-02 1.2408e-02 1.2652e-02 -6.0000e+00 2.5607e-01 6.4644e-03 6.7131e-03 4.9229e-03 -6.0000e+00 1.1062e-01 2.1253e-04 -1.6782e-04 2.7480e-04 4.4683e-05 -6.0000e+00 7.4489e-03 -2.3561e-04 0.0000e+00 12 9 9 12 1 1 999.00 20.60 0.26 -0.00024 -0.00150 1 5 1 8 0 2350.650 20.11 20.60 16.62 25.47 25.39 0.3 926.90 136427 -25126 281138 -68697 10240 -61331 -6351 -34078 -5023 -11644 -34691 59563 -10651 -164 -16054 41327 -20826 16323 -4114 -7458 7576 3254 611 5813 14422 -6973 -5680 -10492 -2614 -6816 7145 -7718 8606 -1607 -11933 -149 -1806 1631 -2080 3489 -4866 505 -20 -1818 4515 2467 104 -336 -1725 4670 4711 -452 6114 612 973 2847 2106 3919 -1493 3226 -1465 316 1580 3213 -1045 526 -1336 -2674 -256 -1386 4794 -224 1227 660 483 -4234 -2101 -5267 -617 -2321 420 838 -1410 -855 -2781 808 -200 513 -573 373 2036 -1356 -1156 -1237 -781 -202 301 62 882 245 549 -1024 -1713 1085 -582 -5 -1435 -95 -485 1072 447 675 -368 437 -72 618 -140 -428 876 -345 597 617 817 560 1521 -95 -802 -88 475 -345 -304 42 -983 -747 251 -135 -569 389 421 183 -65 -624 201 1364 -821 2811 -3375 216 -2461 -163 -1284 -160 -416 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