File name: Pandora127s1_Mainz-MPIC_20250725_L2Fit_fout2c5d20250721p1-8.txt File generation date: 20250902T105826.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 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_v6d20250721.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250725_L1_smca1c5d20250721p1-8.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: 20250725 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]: 305.0664 305.2071 305.3478 305.4884 305.6291 305.7697 305.9103 306.0510 306.1916 306.3321 306.4727 306.6133 306.7538 306.8944 307.0349 307.1754 307.3159 307.4564 307.5968 307.7373 307.8777 308.0182 308.1586 308.2990 308.4394 308.5798 308.7202 308.8605 309.0009 309.1412 309.2815 309.4218 309.5621 309.7024 309.8427 309.9829 310.1232 310.2634 310.4036 310.5438 310.6840 310.8242 310.9644 311.1045 311.2447 311.3848 311.5249 311.6650 311.8051 311.9452 312.0853 312.2253 312.3654 312.5054 312.6454 312.7854 312.9254 313.0654 313.2054 313.3453 313.4853 313.6252 313.7651 313.9050 314.0449 314.1848 314.3247 314.4645 314.6044 314.7442 314.8840 315.0238 315.1636 315.3034 315.4432 315.5829 315.7227 315.8624 316.0021 316.1418 316.2815 316.4212 316.5609 316.7005 316.8402 316.9798 317.1194 317.2591 317.3986 317.5382 317.6778 317.8174 317.9569 318.0964 318.2360 318.3755 318.5150 318.6545 318.7939 318.9334 319.0728 319.2123 319.3517 319.4911 319.6305 319.7699 319.9093 320.0486 320.1880 320.3273 320.4666 320.6059 320.7452 320.8845 321.0238 321.1631 321.3023 321.4416 321.5808 321.7200 321.8592 321.9984 322.1376 322.2767 322.4159 322.5550 322.6942 322.8333 322.9724 323.1115 323.2505 323.3896 323.5287 323.6677 323.8067 323.9458 324.0848 324.2238 324.3627 324.5017 324.6407 324.7796 324.9185 --------------------------------------------------------------------------------------- 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 20250725T070449.5Z 9337.295017 158 1 16.20 2 60.58 94.22 65.01 87.21 0.00 1 0.00 1 0 17 1.364e-02 6.790e-03 2.255e-03 5.898e-04 3.019297e-01 2.976983e-04 3.839375e-03 -6.000000e+00 7.804132e-03 233.30 -2.00 3.76 -2.00 317.60 0.00e+00 5.853346e-04 4.576019e-05 1.715659e-04 -6.000000e+00 3.387746e-04 283.55 -2.00 20.00 -2.00 316.84 0.00e+00 2.027 0.000 302.00 328.00 3 1.6442e+00 7.9819e-04 2.6525e-02 -6.0000e+00 1.9663e-02 -5.1696e-03 8.9580e-04 1.7053e-02 -6.0000e+00 2.1252e-02 -1.5590e-03 5.5173e-04 8.2604e-03 -6.0000e+00 1.2602e-02 -4.6359e-03 2.7859e-04 2.2814e-03 -6.0000e+00 5.3536e-03 9.4795e-03 1.5041e-05 1.6092e-05 2.2570e-05 -6.0000e+00 3.4733e-04 1.7279e-03 0.0000e+00 12 9 1 12 1 1 49.00 21.95 0.22 0.00173 0.00184 182 131 2 8 0 87.050 20.01 21.95 28.23 25.68 25.68 0.0 996.52 -2351 64 -2448 -3533 -5291 -3484 -3565 -1238 -1740 -3526 -4581 -4443 -2446 -1609 787 -830 553 728 878 1626 621 643 521 736 392 477 -531 -697 -1408 -160 150 664 1612 -1345 -3252 -3469 -3300 -1750 -466 -473 -533 -276 20 -329 459 112 -404 -139 -896 -161 619 835 792 882 306 1118 711 520 455 291 797 1093 2119 2379 924 177 -516 -1025 733 867 542 766 303 818 136 -187 -1026 -1826 -974 -1081 -1362 -1584 -2434 -1839 -868 -562 48 58 591 527 643 413 -190 113 56 -50 88 909 471 138 -192 -944 -1049 -286 -682 -1091 -763 -957 -85 421 690 371 354 50 -283 -80 46 19 300 271 -106 134 477 546 762 427 -148 757 604 292 338 -360 -281 -18 175 49 18 394 88 -154 -241 -690 -694 -194 6 -229 -313 -422 -287 -315 -111 -177 -383 -495 -495 -306 -234 130 -154 106 146 184 353 139 143 118 178 101 128 -144 -178 -338 -38 38 184 486 -432 -990 -1026 -1064 -602 -193 -229 -262 -142 11 -176 244 60 -214 -72 -461 -83 336 491 496 582 210 780 510 373 319 202 566 776 1632 1971 784 140 -378 -734 552 749 483 712 283 732 122 -151 -753 -1377 -762 -896 -1198 -1552 -2582 -1899 -949 -660 56 70 710 653 738 433 -195 111 59 -54 107 1149 645 189 -247 -1182 -1224 -340 -836 -1427 -1038 -1366 -119 632 1044 578 537 74 -390 -109 62 26 424 412 -166 207 712 785 1099 591 -193 972 833 416 510 -565 -447 -28 290 81 30 690 156 -269 -406 -1175 -1143 SS 20250725T071955.0Z 9337.305497 167 1 17.74 2 58.17 97.26 62.69 90.01 0.00 1 0.00 1 0 17 1.321e-02 7.335e-03 1.359e-03 4.168e-04 2.832671e-01 2.104711e-04 3.610453e-03 -6.000000e+00 7.558367e-03 233.30 -2.00 3.76 -2.00 317.32 0.00e+00 6.357283e-04 3.005327e-05 2.084174e-04 -6.000000e+00 3.281051e-04 283.55 -2.00 20.00 -2.00 316.57 0.00e+00 1.889 0.000 302.00 328.00 3 1.2164e+00 5.6149e-04 2.4778e-02 -6.0000e+00 1.9044e-02 -2.1541e-03 6.2876e-04 1.5956e-02 -6.0000e+00 2.0583e-02 -3.4358e-03 3.7873e-04 7.7330e-03 -6.0000e+00 1.2205e-02 -3.2543e-03 1.8840e-04 2.1346e-03 -6.0000e+00 5.1851e-03 1.7063e-02 -5.7199e-05 1.1350e-05 2.1224e-05 -6.0000e+00 3.3639e-04 1.6821e-03 0.0000e+00 12 9 1 12 1 1 57.98 21.98 0.20 0.00168 0.00125 335 218 2 8 0 52.300 20.00 21.98 29.37 25.68 25.68 0.0 1003.30 -1560 -346 -1315 -3166 -4436 -4462 -3377 -1560 -533 -2800 -3782 -3590 -1994 -1063 546 118 514 1195 1177 1871 635 908 696 782 438 640 -569 -737 -1207 -1003 57 143 1301 -1819 -3549 -3879 -3531 -1883 -602 -506 -408 -170 72 -35 351 136 -277 -78 -856 -93 730 761 918 1066 656 1217 853 544 406 205 932 1403 2169 2433 977 85 -640 -1146 556 859 545 913 489 899 216 -456 -1357 -2246 -1331 -1433 -1510 -1687 -2348 -1805 -757 -553 146 119 672 496 488 48 -736 -466 -264 -199 244 1067 515 156 -127 -975 -1019 -368 -727 -1084 -601 -851 67 527 857 628 591 177 -257 -127 -64 -79 246 343 -58 211 525 501 798 416 -240 601 535 217 253 -451 -417 -219 73 44 1 516 195 -105 -244 -596 -756 -156 -37 -147 -337 -464 -445 -356 -168 -64 -358 -479 -467 -290 -179 104 25 113 273 281 461 162 228 178 213 127 193 -173 -211 -323 -264 16 44 431 -642 -1182 -1254 -1241 -704 -270 -265 -216 -94 41 -20 200 78 -157 -43 -468 -51 418 472 603 738 471 888 593 378 297 149 691 1036 1739 2092 859 69 -484 -844 429 758 496 867 467 824 199 -380 -1023 -1735 -1062 -1207 -1346 -1671 -2509 -1878 -833 -653 171 144 814 620 565 51 -761 -462 -275 -215 294 1337 698 212 -161 -1211 -1181 -434 -886 -1409 -811 -1205 94 782 1278 961 926 261 -367 -169 -84 -109 340 509 -89 320 771 708 1129 564 -309 804 722 319 372 -688 -645 -350 118 76 2 873 336 -178 -418 -985 -1211 SS 20250725T072542.4Z 9337.309518 170 1 49.31 2 57.25 98.45 61.80 91.09 0.00 1 0.00 1 0 17 1.330e-02 6.974e-03 7.424e-04 2.045e-04 2.757610e-01 1.028377e-04 3.502661e-03 -6.000000e+00 7.610230e-03 233.30 -2.00 3.76 -2.00 317.64 0.00e+00 5.886473e-04 1.582373e-05 2.019587e-04 -6.000000e+00 3.303665e-04 283.55 -2.00 20.00 -2.00 316.87 0.00e+00 1.842 0.000 302.00 328.00 3 5.7528e-01 2.7589e-04 2.4141e-02 -6.0000e+00 1.9175e-02 -1.8659e-03 3.1004e-04 1.5531e-02 -6.0000e+00 2.0725e-02 -1.5771e-03 1.8978e-04 7.5381e-03 -6.0000e+00 1.2289e-02 -4.8124e-03 9.5192e-05 2.0893e-03 -6.0000e+00 5.2205e-03 3.4310e-02 -1.9066e-05 5.6494e-06 2.0524e-05 -6.0000e+00 3.3872e-04 1.9644e-03 0.0000e+00 11 8 0 10 0 0 23.13 21.99 0.21 0.00196 0.00182 2051 481 2 8 0 23.690 20.00 21.99 30.00 25.79 25.68 0.0 1008.10 -1555 -988 -1202 -3463 -4469 -4206 -3610 -1330 -1558 -2808 -4365 -3476 -2482 -1020 170 -61 184 570 1183 1541 857 563 968 587 451 381 -554 -820 -1506 -613 -134 413 1040 -1590 -3685 -3594 -3633 -1939 -635 -519 -373 -252 68 -258 485 4 -225 -151 -668 -41 653 768 995 1079 585 1204 853 665 421 259 962 1442 2136 2393 1015 64 -566 -1291 701 796 635 828 476 906 188 -350 -1224 -2100 -1330 -1264 -1525 -1524 -2434 -1747 -795 -555 125 76 670 506 594 25 -648 -303 -207 -153 211 1007 496 188 -175 -933 -1039 -316 -733 -1100 -629 -856 29 541 837 530 469 58 -251 -155 -103 -126 266 256 -89 221 524 482 722 401 -263 699 484 297 286 -423 -355 -200 97 16 29 455 185 -127 -206 -578 -661 -143 -99 -123 -338 -389 -348 -317 -130 -172 -328 -508 -411 -330 -155 30 -12 37 118 254 342 196 127 222 144 117 103 -151 -210 -362 -143 -33 112 307 -497 -1089 -1027 -1133 -637 -250 -239 -187 -133 37 -141 262 2 -121 -79 -344 -21 353 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