File name: Pandora127s1_Mainz-MPIC_20250923_L2Fit_fout2c8d20250721p1-8.txt
File generation date: 20251015T102045.4Z
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_20250923_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: 20250923
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
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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
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SS 20250923T085119.1Z 9397.368971 163 1 10.60 2 59.33 135.56 75.50 126.29 0.00 1 0.00 1 0 17 1.156e-02 7.033e-03 4.512e-03 1.728e-03 2.532181e-01 8.596540e-04 3.282827e-03 -6.000000e+00 6.473578e-03 227.71 -2.00 3.76 -2.00 316.82 0.00e+00 4.957146e-04 1.089427e-04 1.352281e-04 -6.000000e+00 2.824574e-04 279.86 -2.00 20.00 -2.00 316.16 0.00e+00 1.953 0.000 302.00 328.00 3 3.5602e+00 2.2516e-03 2.3774e-02 -6.0000e+00 1.6111e-02 1.7442e-02 2.5209e-03 1.3954e-02 -6.0000e+00 1.7500e-02 -4.1958e-03 1.4927e-03 6.8626e-03 -6.0000e+00 1.0402e-02 -2.6860e-03 7.3035e-04 1.9422e-03 -6.0000e+00 4.4583e-03 1.6376e-03 -9.9487e-05 4.6917e-05 2.0680e-05 -6.0000e+00 2.9394e-04 3.2433e-03 0.0000e+00 12 9 1 12 1 1 98.27 20.50 0.21 0.00324 0.00250 18 20 2 8 0 557.830 20.16 20.50 19.92 25.39 25.28 0.2 946.62 -1596 -1844 -996 -2913 -5633 -2412 -1358 -583 -183 -1763 -2785 -967 -2455 -164 790 -28 391 386 886 2442 823 559 1343 1082 775 806 -293 -471 -779 -508 -22 1206 683 -1386 -3388 -2421 -3361 -1242 -135 -584 -556 -411 -344 -707 234 -531 -305 -586 -532 -82 864 883 1055 1206 662 1212 504 769 823 246 842 1523 1847 1950 800 -153 -748 -714 596 913 394 850 415 822 99 -431 -1194 -2126 -1191 -825 -1638 -1342 -2251 -1744 -704 -511 -12 158 756 282 522 97 -574 -270 -465 -18 31 976 505 353 -204 -1014 -964 -195 -747 -1182 -679 -856 -111 484 825 564 456 80 -217 -116 -44 -31 97 218 138 319 697 516 836 515 -242 622 445 406 359 -427 -368 -138 91 -25 -95 289 224 -186 -133 -689 -670 -222 -279 -151 -416 -728 -289 -172 -84 -29 -296 -461 -161 -470 -35 193 -7 109 111 264 744 260 174 422 331 252 272 -99 -162 -251 -160 -7 432 245 -521 -1200 -898 -1260 -538 -70 -327 -339 -261 -224 -466 152 -349 -195 -367 -325 -50 550 605 709 851 484 898 384 581 608 181 633 1225 1508 1701 707 -135 -604 -556 489 797 380 852 418 795 90 -378 -947 -1600 -923 -721 -1521 -1374 -2331 -1873 -799 -587 -14 198 944 343 622 105 -607 -273 -496 -20 37 1236 653 480 -261 -1192 -1125 -233 -922 -1556 -928 -1156 -155 722 1231 862 674 117 -290 -152 -57 -42 132 320 210 478 1013 724 1174 693 -309 774 593 551 516 -636 -554 -214 141 -42 -154 477 374 -306 -222 -1110 -1046
SS 20250923T085806.0Z 9397.373681 167 1 49.08 2 58.58 137.34 74.68 127.75 0.00 1 0.00 1 0 17 1.220e-02 6.737e-03 6.904e-04 2.344e-04 2.461767e-01 1.163810e-04 3.180264e-03 -6.000000e+00 6.835066e-03 227.71 -2.00 3.76 -2.00 317.22 0.00e+00 5.620807e-04 1.602005e-05 1.392614e-04 -6.000000e+00 2.982320e-04 279.86 -2.00 20.00 -2.00 316.53 0.00e+00 1.911 0.000 302.00 328.00 3 9.0621e-01 3.0647e-04 2.3205e-02 -6.0000e+00 1.7011e-02 9.4916e-03 3.4374e-04 1.3552e-02 -6.0000e+00 1.8477e-02 -8.9615e-04 2.0713e-04 6.6844e-03 -6.0000e+00 1.0982e-02 -4.6011e-03 1.0272e-04 1.9197e-03 -6.0000e+00 4.7071e-03 2.4583e-02 -3.7873e-05 6.4823e-06 1.9362e-05 -6.0000e+00 3.1036e-04 3.3545e-03 0.0000e+00 11 8 0 10 0 0 99.25 20.51 0.20 0.00335 0.00307 1411 331 2 8 0 34.390 20.23 20.51 20.18 25.39 25.28 0.2 950.67 -1450 -690 -1858 -3870 -4091 -4108 -2108 -796 -631 -2642 -3637 -2811 -1621 -557 733 -25 517 982 1227 1918 651 618 884 828 522 535 -735 -993 -1464 -432 340 755 1357 -1917 -3483 -3325 -2954 -1422 -198 -351 -402 -150 -105 -353 303 19 -406 -196 -752 103 755 763 1016 1014 612 1098 776 526 442 287 1016 1508 2103 2242 767 -51 -699 -1124 697 805 455 667 279 765 102 -414 -1102 -1918 -1005 -1165 -1377 -1548 -2381 -1702 -768 -580 28 5 545 440 478 78 -553 -120 -64 -70 306 957 434 146 -133 -880 -829 -255 -741 -1089 -576 -865 29 514 718 472 449 127 -146 1 -36 -25 240 200 -143 181 509 424 803 427 -91 765 514 269 245 -410 -314 -167 25 -27 -6 365 97 -146 -223 -547 -627 -176 -90 -249 -488 -455 -437 -235 -100 -88 -391 -529 -415 -267 -105 155 -6 124 243 315 507 177 166 241 239 160 170 -234 -296 -408 -117 97 233 453 -676 -1151 -1064 -1029 -522 -87 -180 -224 -87 -62 -212 181 12 -239 -112 -421 57 439 478 671 704 438 798 577 391 321 207 748 1092 1649 1877 652 -40 -505 -858 510 674 420 642 270 710 89 -325 -852 -1404 -757 -995 -1219 -1517 -2514 -1860 -821 -666 33 7 682 533 537 86 -559 -115 -64 -79 350 1208 591 198 -168 -1029 -982 -309 -912 -1429 -784 -1233 44 750 1108 744 684 181 -204 1 -46 -34 344 286 -213 265 781 628 1122 571 -115 946 680 385 371 -595 -461 -253 40 -45 -11 651 177 -261 -383 -908 -1009
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