File name: Pandora127s1_Mainz-MPIC_20250927_L2Fit_fout2c5d20250721p1-8.txt File generation date: 20250927T232247.7Z 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_20250927_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: 20250927 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 20250927T080646.0Z 9401.338033 130 1 48.65 2 65.95 125.79 120.55 96.27 0.00 1 0.00 1 0 17 4.081e-02 8.097e-03 4.000e-02 5.517e-03 3.265215e-01 2.740350e-03 4.164637e-03 -6.000000e+00 2.281745e-02 227.16 -2.00 3.76 -2.00 318.91 0.00e+00 3.705608e-04 6.036756e-04 4.779037e-04 -6.000000e+00 9.956919e-04 279.34 -2.00 20.00 -2.00 318.24 0.00e+00 2.436 0.000 302.00 328.00 3 5.5002e+00 7.5129e-03 3.0067e-02 -6.0000e+00 5.6723e-02 3.6430e-02 8.6284e-03 1.8173e-02 -6.0000e+00 6.1642e-02 1.0073e-02 6.0729e-03 9.0268e-03 -6.0000e+00 3.6645e-02 -1.3295e-02 3.2005e-03 2.5859e-03 -6.0000e+00 1.5710e-02 1.3023e-04 -5.8693e-05 1.5590e-04 2.6397e-05 -6.0000e+00 1.0377e-03 3.1657e-03 0.0000e+00 11 9 0 11 8 0 99.78 20.51 0.42 0.00317 0.00272 24 6 1 8 0 2026.970 19.82 20.51 22.66 25.39 25.28 0.1 961.94 4367 -7486 345 -17358 15659 -17569 -1119 19811 -1640 -6990 -14246 -45 4861 -17630 -9637 -642 165 -1105 3472 863 3482 -3046 -3648 -841 -1805 2071 3377 -1212 -320 473 1178 145 2271 -2865 2108 -4760 -4958 -1048 -3422 1773 -879 1601 502 358 -1547 1042 557 281 -609 -51 -467 1049 145 2055 551 188 -547 559 320 -148 883 1040 2823 3928 1438 932 -792 -1155 472 78 345 429 385 285 318 -476 -642 -2665 -3189 -671 -1860 -1363 -3095 -902 -1365 -150 1457 117 880 989 456 732 -1364 -1452 -224 7 671 858 608 -426 130 -765 -1256 -824 -1325 -791 -632 -392 -263 1129 933 172 726 336 -260 -607 131 213 -201 53 229 86 689 18 476 -346 -608 999 434 123 -123 -741 -602 -512 203 286 268 689 135 59 -107 -528 -545 172 -365 16 -906 533 -793 -47 769 -88 -418 -908 -3 309 -1633 -962 -65 18 -126 398 105 426 -391 -484 -117 -271 315 505 -179 -44 65 173 24 405 -555 366 -859 -980 -235 -951 547 -306 572 187 135 -592 393 208 104 -226 -19 -187 449 67 979 275 97 -290 293 164 -75 459 581 1703 2523 959 583 -466 -670 289 55 265 343 308 221 229 -312 -382 -1545 -1956 -457 -1440 -1163 -2872 -860 -1390 -161 1631 137 1022 1114 484 715 -1249 -1287 -209 8 762 1076 819 -577 166 -903 -1389 -922 -1620 -1022 -846 -546 -386 1740 1534 292 1197 526 -378 -835 178 299 -302 84 371 138 1076 28 689 -485 -810 1299 608 187 -198 -1236 -1021 -898 373 554 530 1387 275 118 -206 -986 -989 SS 20250927T090859.7Z 9401.381247 165 1 12.20 2 58.71 141.37 111.23 106.99 0.00 1 0.00 1 0 17 1.298e-02 7.285e-03 5.097e-03 1.900e-03 2.599942e-01 9.428320e-04 3.365296e-03 -6.000000e+00 7.259535e-03 227.16 -2.00 3.76 -2.00 316.88 0.00e+00 3.417294e-04 1.204315e-04 1.334874e-04 -6.000000e+00 3.167648e-04 279.34 -2.00 20.00 -2.00 316.22 0.00e+00 1.918 0.000 302.00 328.00 3 3.8497e+00 2.4660e-03 2.3692e-02 -6.0000e+00 1.8047e-02 2.9132e-02 2.7655e-03 1.4245e-02 -6.0000e+00 1.9611e-02 -3.9281e-03 1.6457e-03 7.0343e-03 -6.0000e+00 1.1658e-02 -2.7316e-03 8.0772e-04 1.9947e-03 -6.0000e+00 4.9986e-03 1.2434e-03 -2.0343e-05 5.1495e-05 2.1278e-05 -6.0000e+00 3.3010e-04 2.5338e-03 0.0000e+00 12 9 1 12 1 1 96.06 20.60 0.24 0.00253 0.00238 14 14 1 8 0 812.730 20.00 20.60 23.83 25.47 25.39 0.0 969.35 -1584 -950 -1037 -3348 -5255 -2699 -3348 -2481 -3548 -1110 -3892 -3040 -297 -1773 1532 657 -15 1041 2372 1989 1091 859 1270 820 879 748 -100 -691 -1124 -813 126 668 311 -1678 -3318 -2379 -3461 -1718 93 -812 -203 -219 -37 -318 122 -264 -544 -164 -878 216 1114 1002 748 1148 30 893 575 954 671 511 1049 1682 1798 2411 770 -88 -688 -694 881 510 322 963 -2 1109 65 -489 -1255 -1674 -1131 -1171 -1670 -1644 -2688 -1837 -763 -601 403 -243 571 241 596 -110 -187 -242 -332 -15 233 1094 562 333 -220 -918 -798 -218 -790 -939 -611 -724 199 496 870 567 541 120 -149 21 -254 -286 236 111 -135 475 445 508 832 350 -474 400 337 517 359 -481 -59 -148 -50 -23 153 343 -25 -151 -170 -564 -667 -209 -136 -151 -463 -652 -311 -413 -346 -560 -179 -629 -498 -53 -374 358 170 -4 289 676 590 333 259 388 267 303 268 -36 -234 -354 -250 41 235 110 -620 -1257 -863 -1267 -727 47 -445 -121 -136 -24 -204 78 -169 -343 -100 -528 129 694 674 533 798 22 654 431 709 488 369 773 1325 1543 2058 670 -76 -547 -533 709 472 306 951 -2 1054 58 -423 -980 -1329 -862 -1011 -1527 -1664 -2939 -1947 -855 -723 479 -300 702 288 699 -118 -194 -240 -348 -16 280 1365 757 446 -277 -1128 -914 -256 -1017 -1210 -818 -1015 273 726 1347 851 829 172 -206 27 -325 -380 335 160 -201 696 635 739 1144 461 -630 519 440 729 536 -702 -87 -226 -81 -37 254 583 -43 -256 -277 -886 -1073 SS 20250927T091421.2Z 9401.384968 168 1 7.08 2 58.19 142.81 110.45 107.89 0.00 1 0.00 1 0 17 1.189e-02 7.221e-03 1.659e-03 7.152e-04 2.557076e-01 3.551796e-04 3.325886e-03 -6.000000e+00 6.646453e-03 227.16 -2.00 3.76 -2.00 316.56 0.00e+00 4.775395e-04 4.231615e-05 1.068164e-04 -6.000000e+00 2.900200e-04 279.34 -2.00 20.00 -2.00 315.92 0.00e+00 1.890 0.000 302.00 328.00 3 1.5692e+00 9.2521e-04 2.3341e-02 -6.0000e+00 1.6522e-02 1.4519e-02 1.0356e-03 1.4034e-02 -6.0000e+00 1.7955e-02 -4.5293e-03 6.0792e-04 6.9224e-03 -6.0000e+00 1.0674e-02 -2.3382e-03 2.9298e-04 1.9675e-03 -6.0000e+00 4.5764e-03 1.2674e-02 -6.4464e-05 1.9277e-05 2.1039e-05 -6.0000e+00 3.0224e-04 2.7505e-03 0.0000e+00 12 9 1 12 1 1 97.11 20.61 0.17 0.00275 0.00227 91 150 2 8 0 76.130 20.00 20.61 24.01 25.47 25.39 0.1 972.05 -1622 -518 -1133 -3388 -2809 -3960 -1198 -2143 727 -2779 -2406 -3129 -1463 -408 714 333 299 1628 1363 2567 703 928 808 1115 635 862 155 -292 -875 -403 486 410 1672 -1946 -3318 -3516 -3421 -1753 -778 -538 -504 58 -162 -147 319 177 -324 15 -487 -47 618 508 969 813 705 1052 856 502 451 297 952 1467 2059 2110 847 90 -607 -1009 638 735 454 713 189 712 68 -351 -1036 -2160 -985 -1436 -1539 -1677 -2364 -1675 -874 -548 -9 110 464 510 357 123 -567 -207 -87 -79 352 902 564 94 -73 -1044 -680 -238 -748 -983 -559 -911 57 561 710 586 434 216 -196 37 -19 24 277 245 -90 105 535 384 850 398 -113 761 548 303 262 -337 -348 -104 101 6 -34 493 -32 -154 -329 -665 -632 -262 -90 -202 -574 -416 -564 -177 -363 134 -554 -466 -624 -323 -94 187 96 90 500 436 842 240 311 275 401 225 316 57 -109 -305 -137 174 160 647 -803 -1283 -1426 -1393 -826 -408 -329 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