File name: Pandora30s1_Juelich_20250702_L2Fit_fout2c7d20250318p1-8.txt File generation date: 20250730T233244.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Kezia Lange Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 30 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora30_OF_v3d20241219.txt Instrument calibration file used: Pandora30s1_CF_v7d20250318.txt Level 1 file used: Pandora30s1_Juelich_20250702_L1_smca1c7d20250318p1-8.txt Full location name: Juelich JULEY Short location name: Juelich Country of location: Germany Location latitude [deg]: 50.9080 Location longitude [deg]: 6.4130 Location altitude [m]: 94 Local noon date: 20250702 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB after repairs in LabLuftBlick First and last pixel inside fitting window: 221 362 Nominal wavelengths inside fitting window [nm]: 305.0212 305.1630 305.3047 305.4465 305.5882 305.7299 305.8716 306.0133 306.1550 306.2966 306.4383 306.5799 306.7216 306.8632 307.0048 307.1464 307.2880 307.4296 307.5711 307.7127 307.8542 307.9957 308.1373 308.2788 308.4203 308.5617 308.7032 308.8447 308.9861 309.1276 309.2690 309.4104 309.5518 309.6932 309.8346 309.9760 310.1173 310.2587 310.4000 310.5413 310.6826 310.8239 310.9652 311.1065 311.2478 311.3890 311.5303 311.6715 311.8127 311.9539 312.0951 312.2363 312.3775 312.5186 312.6598 312.8009 312.9421 313.0832 313.2243 313.3654 313.5064 313.6475 313.7886 313.9296 314.0706 314.2117 314.3527 314.4937 314.6347 314.7756 314.9166 315.0576 315.1985 315.3394 315.4803 315.6213 315.7621 315.9030 316.0439 316.1848 316.3256 316.4664 316.6073 316.7481 316.8889 317.0297 317.1705 317.3112 317.4520 317.5927 317.7334 317.8742 318.0149 318.1556 318.2963 318.4369 318.5776 318.7182 318.8589 318.9995 319.1401 319.2807 319.4213 319.5619 319.7024 319.8430 319.9835 320.1241 320.2646 320.4051 320.5456 320.6861 320.8266 320.9670 321.1075 321.2479 321.3883 321.5287 321.6691 321.8095 321.9499 322.0903 322.2306 322.3710 322.5113 322.6516 322.7919 322.9322 323.0725 323.2128 323.3530 323.4933 323.6335 323.7737 323.9139 324.0541 324.1943 324.3345 324.4747 324.6148 324.7550 324.8951 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 --------------------------------------------------------------------------------------- SU 20250702T041813.8Z 9314.179326 183 1 49.18 2 84.01 60.38 131.29 345.01 0.00 1 0.00 1 0 17 4.675e-01 6.289e-02 2.391e-01 2.751e-02 8.893059e-01 1.642627e-02 1.063254e-02 -6.000000e+00 3.039423e-01 233.64 -2.00 3.80 -2.00 321.26 0.00e+00 1.260185e-04 4.937615e-03 6.281349e-04 -6.000000e+00 1.321526e-02 282.04 -2.00 20.00 -2.00 320.53 0.00e+00 8.538 0.013 302.00 328.00 3 1.7204e+00 4.9838e-02 9.8653e-02 -6.0000e+00 7.6586e-01 2.0289e+00 5.8104e-02 4.9442e-02 -6.0000e+00 8.2808e-01 -1.8863e+00 3.4335e-02 2.3968e-02 -6.0000e+00 4.9068e-01 6.2742e-01 1.7095e-02 6.8336e-03 -6.0000e+00 1.9809e-01 5.8870e-06 -5.6016e-05 8.3711e-04 1.0870e-04 -6.0000e+00 1.6952e-02 7.1802e-02 0.0000e+00 12 8 8 10 0 0 -194.47 21.40 0.53 0.07180 0.07138 13 3 1 5 0 3782.460 26.73 19.99 21.40 28.98 24.2 1001.92 43649 70951 87625 31327 48730 4355 -47946 44603 -51301 19936 -26562 -31738 -15382 148112 23846 85907 900000 17119 21163 900000 131862 -22650 54428 169386 -11064 -6183 48235 159832 -16841 12278 -25867 4140 229514 15694 13758 -30147 -7234 900000 103551 32308 -1630 39388 27406 137526 18172 111365 16865 -86738 114636 -5456 31861 43516 27521 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26.73 19.99 21.40 29.14 24.2 1002.01 297064 900000 435682 270512 513379 208527 241297 49072 30882 -61346 -29480 -6084 202773 900000 100069 354082 900000 307519 205125 900000 248410 66510 900000 900000 11295 -46463 162501 900000 8385 139986 108918 218603 248082 153332 184554 115794 142730 900000 900000 -10493 27786 16788 37181 125429 25269 328331 108095 -98343 187847 129615 81567 119631 70590 78480 100657 27636 38608 65223 66786 15101 35442 44229 55488 65860 48489 76396 62233 74638 30267 20843 60037 11994 19326 8281 463 -1021 10869 3186 19943 20572 10522 15888 13284 7443 738 3657 -2200 4364 6767 -4112 -1815 4277 -7739 -3987 -1105 8410 6883 8202 900000 4655 9143 6668 587 -4954 -8443 -11440 -4327 -6617 4821 -2924 -2831 -4647 -6710 -5127 -6549 -1301 2095 1310 -2758 1996 5087 1567 3793 -3173 324 -1407 3828 1047 3246 2780 2839 3233 1520 -821 -2576 -1462 -815 -2803 -1306 656 3627 722 9119 900000 8253 13958 9724 8464 4571 2324 961 -3154 -997 -226 3841 900000 8327 6707 900000 6904 12628 900000 7494 8189 900000 900000 499 -2738 3078 900000 506 3732 6266 5893 5603 8283 6588 6661 5511 900000 900000 -1192 2066 1472 3052 5300 3386 6219 9056 -62404 8348 10670 10643 10981 9657 9205 7993 3645 4078 4942 5206 2193 5122 7168 9498 11320 10307 12634 11177 12289 7687 5937 11766 3425 4623 1958 106 -233 2312 829 5443 6711 4296 6576 5815 3519 382 1891 -1233 2299 3394 -2172 -871 1836 -3833 -2148 -701 5741 5685 7507 900000 4371 7398 4935 433 -3867 -7128 -10649 -4119 -7238 5332 -3752 -3874 -6584 -9528 -6956 -8923 -1791 2947 1892 -4271 2920 7192 2191 4972 -4302 414 -1855 5161 1652 5557 5360 5962 7233 3545 -2063 -6837 -3920 -2189 -7614 -3376 1572 8258 1654 SU 20250702T042452.3Z 9314.183939 189 1 48.79 2 83.09 61.61 131.56 347.11 0.00 1 0.00 1 0 17 3.694e-01 3.856e-02 2.260e-01 1.442e-02 8.882670e-01 8.846899e-03 1.343575e-02 -6.000000e+00 2.401781e-01 233.64 -2.00 3.80 -2.00 321.86 0.00e+00 3.250799e-02 4.364140e-03 6.355234e-03 -6.000000e+00 1.043923e-02 282.04 -2.00 20.00 -2.00 321.33 0.00e+00 7.605 0.009 302.00 328.00 3 1.7767e+00 3.1060e-02 9.2370e-02 -6.0000e+00 6.0459e-01 1.5184e+00 3.8292e-02 5.4660e-02 -6.0000e+00 6.5336e-01 -1.5538e+00 2.8041e-02 3.6651e-02 -6.0000e+00 3.8743e-01 5.8136e-01 1.3426e-02 2.9430e-02 -6.0000e+00 1.5651e-01 1.3932e-05 -4.1445e-03 4.3706e-04 6.4550e-04 -6.0000e+00 1.3395e-02 7.2199e-02 0.0000e+00 12 8 8 10 0 0 -4.76 21.40 0.56 0.07220 0.04106 27 6 1 5 0 1806.860 26.73 20.01 21.40 29.29 24.2 1001.95 19846 -26619 10563 -23251 -35787 824 -92765 -86716 -80916 -92034 -103693 -129502 -66559 56353 -50714 -42943 900000 20224 5406 83744 54127 -12788 -46381 900000 -77944 7424 -19276 -21043 -41618 -47821 18068 6775 117925 32872 140388 -38101 -6202 900000 56254 21411 -25613 28418 -11984 97823 32070 45232 57857 25034 74096 44699 30569 27803 10998 41859 27528 19973 22689 58935 30127 6717 9269 9882 16936 19698 13521 18009 40809 39377 14350 9588 27758 8553 4073 17973 387 8623 -9333 1314 -1655 841 1418 1604 6341 496 -551 4072 -93 5530 -895 -1343 -6726 4796 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