File name: Pandora127s1_Mainz-MPIC_20250823_L2Fit_fout2c7d20250721p1-8.txt
File generation date: 20251006T141521.2Z
Data description: Level 2 spectral fitting results file
Data file version: fout2c7p1-8
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_v7d20250721.txt
Level 1 file used: Pandora127s1_Mainz-MPIC_20250823_L1_smca1c7d20250721p1-8.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: 20250823
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 20250823T094737.9Z 9366.408078 220 1 48.45 2 44.04 142.57 45.01 139.19 0.00 1 0.00 1 0 17 1.071e-02 7.037e-03 4.360e-03 1.900e-03 1.957305e-01 9.558268e-04 2.533439e-03 -6.000000e+00 6.084486e-03 231.46 -2.00 3.76 -2.00 316.66 0.00e+00 4.486794e-04 1.144993e-04 1.123884e-04 -6.000000e+00 2.652903e-04 283.02 -2.00 20.00 -2.00 315.93 0.00e+00 1.389 0.000 302.00 328.00 3 5.2054e+00 2.5165e-03 1.7651e-02 -6.0000e+00 1.5263e-02 3.2996e-02 2.8095e-03 1.0960e-02 -6.0000e+00 1.6523e-02 3.3889e-03 1.6377e-03 5.3383e-03 -6.0000e+00 9.8090e-03 -5.7967e-03 7.7839e-04 1.4876e-03 -6.0000e+00 4.1830e-03 5.9187e-04 4.6121e-05 5.2230e-05 1.5972e-05 -6.0000e+00 2.7266e-04 2.6553e-03 0.0000e+00 11 8 0 10 0 0 100.00 20.91 0.35 0.00266 0.00300 45 11 1 8 0 1076.430 19.99 20.91 25.97 25.68 25.68 0.0 980.75 -1363 548 -948 -1227 -2922 -2990 -1292 -924 2884 -2660 -2950 -1230 355 466 840 -347 -607 1498 87 1737 364 1100 659 1385 -30 795 -480 -462 -651 -499 58 1047 1005 -2150 -3082 -3254 -2501 -1039 -551 -295 -891 -111 -69 -177 -190 45 -577 -161 -822 363 415 606 781 991 848 1142 857 399 348 74 910 1209 2186 2311 362 -98 -1117 -783 719 1019 75 735 508 698 -114 -214 -995 -1818 -1385 -1268 -1288 -1556 -2391 -1615 -741 -565 58 222 535 487 363 -160 -786 -1 -186 30 -43 1095 553 374 -93 -1186 -888 -399 -580 -1154 -714 -659 95 515 761 723 534 240 -204 -128 -345 -293 56 179 -46 254 502 484 646 311 129 499 454 185 332 -412 -389 -132 -139 62 73 509 206 64 -389 -555 -747 -238 101 -178 -213 -457 -445 -201 -162 541 -540 -584 -243 76 112 227 -101 -183 454 28 560 121 356 217 476 -11 299 -180 -163 -212 -158 19 366 375 -842 -1127 -1152 -957 -454 -286 -174 -570 -73 -46 -119 -127 30 -378 -102 -510 220 263 407 547 719 630 859 658 306 263 55 697 978 1881 2092 331 -83 -878 -591 565 893 71 730 505 676 -105 -180 -764 -1318 -1027 -1040 -1169 -1535 -2511 -1739 -840 -679 73 287 691 613 432 -176 -797 -1 -186 32 -50 1383 741 496 -117 -1416 -1000 -458 -721 -1522 -969 -925 138 773 1191 1139 820 347 -273 -163 -433 -380 77 261 -69 379 733 687 873 408 160 608 581 252 469 -595 -565 -196 -216 101 121 859 351 108 -643 -890 -1174
SS 20250823T095655.6Z 9366.414532 226 1 3.96 2 43.17 145.63 44.11 142.11 0.00 1 0.00 1 0 25 1.002e-02 7.426e-03 5.102e-03 3.188e-03 1.909966e-01 1.622528e-03 2.489182e-03 -6.000000e+00 5.690158e-03 231.46 -2.00 3.76 -2.00 315.33 0.00e+00 3.109486e-04 1.468860e-04 4.371086e-05 -6.000000e+00 2.480927e-04 283.02 -2.00 20.00 -2.00 314.70 0.00e+00 1.369 0.000 302.00 328.00 3 4.3374e+00 4.2068e-03 1.7317e-02 -6.0000e+00 1.4274e-02 2.5971e-02 4.6666e-03 1.0680e-02 -6.0000e+00 1.5452e-02 4.0498e-03 2.6720e-03 5.1992e-03 -6.0000e+00 9.1732e-03 -5.6635e-03 1.2051e-03 1.4394e-03 -6.0000e+00 3.9120e-03 1.4555e-03 1.6562e-05 8.5377e-05 1.7012e-05 -6.0000e+00 2.5498e-04 2.4185e-03 0.0000e+00 12 9 1 12 9 1 99.41 20.93 0.35 0.00242 0.00254 3 11 1 8 0 989.640 20.01 20.93 26.28 25.68 25.68 0.0 985.94 213 -606 -2306 -1779 -2232 880 -927 2528 1837 -287 -3372 -669 264 1184 297 -832 1038 -229 996 1411 1029 -627 929 712 461 1129 -664 -496 -1272 22 340 2361 997 -1015 -3137 -2994 -1985 -1714 -101 -628 -301 -467 267 -725 -297 -149 -956 702 -35 196 741 519 211 998 672 857 203 1096 -88 216 701 916 1707 1686 639 -331 -155 -1320 591 860 793 599 636 1195 -251 -379 -739 -1449 -250 -992 -1500 -1740 -2263 -1338 -920 -735 176 -23 606 20 414 -252 -513 -157 -204 89 593 950 467 231 -98 -764 -823 -83 -315 -946 -667 -1215 -278 477 750 173 575 389 310 -18 -309 -111 -12 243 -440 -36 284 824 1168 690 228 1131 539 428 294 -359 -466 -322 307 -310 120 371 -34 -268 -146 -579 -812 60 -183 -705 -508 -574 212 -239 703 560 -91 -1072 -209 89 436 121 -360 451 -102 453 655 485 -295 437 348 235 587 -346 -246 -598 10 159 1147 516 -539 -1592 -1486 -1039 -1001 -66 -457 -230 -365 211 -580 -236 -118 -746 531 -26 145 562 412 173 837 572 737 178 952 -76 185 610 832 1619 1656 631 -310 -136 -1138 524 825 805 624 663 1223 -249 -352 -642 -1208 -211 -905 -1468 -1803 -2450 -1474 -1052 -877 217 -29 758 25 490 -282 -542 -160 -214 98 692 1171 601 296 -122 -902 -937 -96 -385 -1199 -866 -1620 -378 666 1074 250 812 528 398 -22 -379 -139 -15 331 -616 -50 389 1102 1512 870 278 1358 672 555 392 -486 -633 -445 437 -456 179 561 -52 -407 -218 -848 -1172
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