File name: Pandora133s1_Heidelberg_20241205_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T134741.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20241205_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20241205 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: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20241205T075133.1Z 9105.327467 74 1 17.05 2 84.98 133.75 117.88 96.16 0.00 1 0.00 1 0 17 7.088e-01 7.497e-02 5.007e-01 5.695e-02 1.029726e+00 3.431860e-02 1.259027e-02 -6.000000e+00 4.151636e-01 221.02 -2.00 3.74 -2.00 322.14 0.00e+00 -7.201193e-04 1.346808e-02 5.006951e-03 -6.000000e+00 2.004730e-02 270.81 -2.00 20.00 -2.00 321.75 0.00e+00 9.825 0.020 302.00 328.00 3 7.5396e-01 1.1542e-01 1.1483e-01 -6.0000e+00 1.0258e+00 2.2076e+00 1.2936e-01 6.1821e-02 -6.0000e+00 1.1297e+00 -2.4259e+00 7.8009e-02 2.8507e-02 -6.0000e+00 6.6088e-01 8.8924e-01 4.7095e-02 9.2124e-03 -6.0000e+00 2.8476e-01 4.8426e-06 1.5722e-04 1.5844e-03 1.6632e-04 -6.0000e+00 2.1479e-02 -3.1429e-03 0.0000e+00 12 9 9 12 1 1 -344.48 21.28 0.75 -0.00314 -0.00196 7 6 4 8 0 2130.680 19.97 21.28 6.24 25.39 25.58 2.1 782.07 93499 149868 343778 900000 -61303 900000 -31031 155721 5916 900000 14610 900000 167318 900000 -32110 283845 92226 900000 -15618 212685 -60557 5794 68915 900000 89644 8015 40990 900000 -52365 900000 900000 900000 -5611 900000 -19764 900000 -35136 900000 68157 49881 75010 900000 41486 83787 900000 166739 -75145 900000 -10081 34054 47499 900000 19311 900000 15845 49866 -27463 900000 -13305 18931 -11179 4122 -31033 53589 31339 98817 6383 172617 33164 195640 39673 150967 60083 81695 35813 -41700 -57443 -37422 11214 18982 -3839 88908 51092 11845 11218 3663 2013 39020 -2796 -6725 -8330 13556 -11435 -367 20545 -9641 87125 6168 4982 -4075 2435 9194 697 -26733 -12566 -18946 10910 -3316 6929 634 7636 -1279 511 -3157 -1097 6314 -9500 2087 -3007 3083 -879 9375 9866 -10120 9694 -4313 2419 -2317 4433 6547 1919 -4471 -954 -1523 -117 -228 1576 -2585 2367 -452 2090 -1256 6792 8286 19008 900000 -10315 900000 -3419 8610 438 900000 918 900000 9251 900000 -5589 15694 5099 900000 -2277 11759 -10775 499 3810 900000 4956 621 2266 900000 -5474 900000 900000 900000 -589 900000 -1917 900000 -4117 900000 3799 3655 4419 900000 3208 4633 900000 9219 -15498 900000 -1196 2863 3842 900000 2337 900000 2121 4779 -5345 900000 -1891 1874 -1530 544 -6498 5449 3961 6500 1065 9544 5193 10817 6599 8347 7325 7149 4233 -9455 -15427 -9285 2109 3965 -1159 12396 10889 3858 3857 1401 793 10695 -1099 -2574 -3037 3980 -4490 -149 8096 -6037 25594 4425 3742 -3165 1620 5040 390 -20212 -8811 -14964 7039 -2758 6078 682 8619 -1656 663 -4158 -1375 7433 -13544 2811 -4354 4133 -1154 10736 10883 -13096 10234 -5102 2840 -3314 6982 11516 3912 -10464 -2327 -4001 -322 -640 4379 -7444 6208 -1130 4712 -2751 SS 20241205T075749.9Z 9105.331828 77 1 46.07 2 84.25 135.01 116.90 97.24 0.00 1 0.00 1 0 25 3.857e-01 3.402e-02 3.392e-01 1.943e-02 9.940444e-01 1.109919e-02 1.141185e-02 -6.000000e+00 2.221192e-01 221.02 -2.00 3.74 -2.00 322.29 0.00e+00 -1.145504e-02 5.497720e-03 7.156274e-03 -6.000000e+00 9.488731e-03 270.81 -2.00 20.00 -2.00 321.88 0.00e+00 8.857 0.015 302.00 328.00 3 1.0717e+00 3.9761e-02 1.1220e-01 -6.0000e+00 5.4641e-01 1.5128e+00 4.9262e-02 8.1538e-02 -6.0000e+00 5.9744e-01 -1.8905e+00 4.1665e-02 3.5292e-02 -6.0000e+00 3.5466e-01 7.2810e-01 2.1512e-02 1.1210e-02 -6.0000e+00 1.5160e-01 1.1948e-05 6.9117e-05 5.3278e-04 1.6363e-04 -6.0000e+00 1.0604e-02 -3.6140e-03 0.0000e+00 12 8 8 10 0 0 57.95 21.28 0.51 -0.00361 -0.00309 44 13 4 8 0 1046.900 19.99 21.28 6.53 25.39 25.58 2.2 785.27 43166 -322 -16752 6698 -79597 900000 -40689 -82606 78287 -40398 -8804 -50739 190642 -44389 -3650 -961 900000 900000 -12782 2213 -25322 -46923 -10101 -4941 112004 -51168 29602 124439 -6245 900000 145489 65970 18096 -35573 2109 45065 -58065 6771 53158 7295 53198 40954 90019 -31816 900000 79307 12409 -5922 19016 18683 60510 60194 40398 15577 77362 40767 35646 900000 22695 -9962 -11409 2243 -7222 31469 29382 17031 2902 18355 23985 39385 20124 23075 35895 18514 9003 686 -20761 1101 -12732 -5412 -203 31291 6904 6281 8183 602 469 12922 -12194 -3458 78991 3434 -6954 7315 -677 -6937 -3268 2534 419 -4272 -2387 -3584 -6122 -8275 -6172 -11443 4502 -1302 -837 -1531 2509 -3757 -1640 -2993 -527 2584 -5167 2335 2675 5107 1459 6138 2606 -3722 5037 63 2122 568 524 748 668 -925 -24 776 -1038 54 1011 338 680 -682 -1058 -1909 953 -11 -581 148 -3515 900000 -1284 -4299 1482 -1465 -236 -2321 3608 -2520 -155 -42 900000 900000 -625 87 -1198 -2664 -469 -238 2120 -3632 917 2355 -226 900000 2754 1703 810 -2571 94 1318 -5295 384 2287 565 2746 2396 3098 -3449 900000 2593 790 -469 1243 1350 3228 3521 3128 1662 4659 3647 3312 900000 2031 -1166 -1394 266 -1081 3519 3387 2227 459 2716 3838 6031 3913 4288 5435 2962 1379 104 -3929 187 -3001 -1425 -60 7645 2316 2248 3041 251 199 4825 -5644 -1369 14203 1182 -2812 2945 -352 -4559 -2441 2023 354 -3616 -1795 -2405 -3981 -5781 -4492 -9293 3400 -1172 -873 -1878 3319 -5598 -2418 -4378 -729 3468 -7797 3440 4055 7407 2077 7942 3385 -4989 6040 78 2688 849 926 1511 1503 -2099 -59 2017 -2916 153 2874 964 1836 -1719 -2688 -4608 SS 20241205T081053.7Z 9105.340899 80 1 47.75 2 82.79 137.66 114.87 99.46 0.00 1 0.00 1 0 25 6.022e-01 1.699e-02 3.352e-01 5.643e-03 9.000591e-01 3.172804e-03 1.034889e-02 -6.000000e+00 3.379600e-01 221.02 -2.00 3.74 -2.00 322.23 0.00e+00 5.400517e-03 1.765851e-03 2.883094e-03 -6.000000e+00 1.451789e-02 270.80 -2.00 20.00 -2.00 321.84 0.00e+00 7.355 0.008 302.00 328.00 3 7.9419e-01 1.1848e-02 8.8976e-02 -6.0000e+00 8.3042e-01 5.5996e-01 1.8721e-02 5.5198e-02 -6.0000e+00 9.0652e-01 -8.1441e-01 2.1391e-02 3.3993e-02 -6.0000e+00 5.3881e-01 3.3063e-01 9.8276e-03 1.3512e-02 -6.0000e+00 2.3201e-01 8.0770e-05 -1.0462e-03 1.6072e-04 1.9886e-04 -6.0000e+00 1.6441e-02 -3.4928e-03 0.0000e+00 12 8 8 10 0 0 69.03 21.30 0.26 -0.00349 -0.01135 168 48 4 8 0 277.530 20.01 21.30 7.40 25.39 25.58 2.1 791.00 -31140 -186575 8801 -196815 -142806 -13174 -154220 -233418 -146685 -204715 -90918 -228588 -12460 -107778 -83840 -107684 152411 -42374 -7901 -73437 -16233 -111339 167663 -90145 -7064 -133645 10356 -59622 69207 -69558 55107 -42273 50447 -65225 52947 -28600 -31516 -38619 43349 -17293 54802 -6644 34353 -22718 107429 -17328 24056 4385 60809 -9345 34017 6743 32380 13720 36192 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