File name: Pandora101s1_Izana_20240918_L2Fit_fout2c22d20230904p1-8.txt File generation date: 20240919T010824.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c22p1-8 Local principal investigator: Alberto Redondas Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 101 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora101_OF_v3d20220624.txt Instrument calibration file used: Pandora101s1_CF_v22d20230904.txt Level 1 file used: Pandora101s1_Izana_20240918_L1_smca1c22d20230904p1-8.txt Full location name: Izana Atmospheric Research Center Short location name: Izana Country of location: Spain Location latitude [deg]: 28.3090 Location longitude [deg]: -16.4994 Location altitude [m]: 2360 Local noon date: 20240918 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: Based on session 12 fieldcal with sens applied First and last pixel inside fitting window: 222 363 Nominal wavelengths inside fitting window [nm]: 305.1209 305.2618 305.4026 305.5434 305.6843 305.8251 305.9659 306.1066 306.2474 306.3882 306.5289 306.6697 306.8104 306.9511 307.0918 307.2325 307.3732 307.5139 307.6545 307.7952 307.9358 308.0764 308.2170 308.3576 308.4982 308.6388 308.7794 308.9199 309.0605 309.2010 309.3415 309.4820 309.6225 309.7630 309.9035 310.0440 310.1844 310.3249 310.4653 310.6057 310.7461 310.8865 311.0269 311.1673 311.3076 311.4480 311.5883 311.7287 311.8690 312.0093 312.1496 312.2898 312.4301 312.5704 312.7106 312.8509 312.9911 313.1313 313.2715 313.4117 313.5519 313.6920 313.8322 313.9723 314.1125 314.2526 314.3927 314.5328 314.6729 314.8129 314.9530 315.0931 315.2331 315.3731 315.5131 315.6531 315.7931 315.9331 316.0731 316.2130 316.3530 316.4929 316.6329 316.7728 316.9127 317.0526 317.1924 317.3323 317.4722 317.6120 317.7518 317.8916 318.0315 318.1712 318.3110 318.4508 318.5906 318.7303 318.8701 319.0098 319.1495 319.2892 319.4289 319.5686 319.7082 319.8479 319.9875 320.1272 320.2668 320.4064 320.5460 320.6856 320.8252 320.9647 321.1043 321.2438 321.3833 321.5229 321.6624 321.8019 321.9413 322.0808 322.2203 322.3597 322.4991 322.6386 322.7780 322.9174 323.0568 323.1961 323.3355 323.4749 323.6142 323.7535 323.8928 324.0321 324.1714 324.3107 324.4500 324.5893 324.7285 324.8677 --------------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------------- SS 20240918T070344.2Z 9027.294261 217 1 32.13 2 88.41 88.99 90.08 268.00 0.00 1 0.00 1 0 17 6.257e-01 8.346e-02 5.028e-01 6.415e-02 1.097939e+00 4.322807e-02 1.250092e-02 -6.000000e+00 3.821679e-01 226.73 -2.00 3.19 -2.00 322.04 0.00e+00 1.471604e-03 2.082356e-02 2.090738e-02 -6.000000e+00 3.163969e-02 280.69 -2.00 20.00 -2.00 321.59 0.00e+00 17.410 0.054 302.00 328.00 3 -1.0563e+00 1.5220e-01 1.9005e-01 -6.0000e+00 9.4501e-01 2.7837e+00 1.7637e-01 1.5420e-01 -6.0000e+00 1.0387e+00 -1.9563e+00 1.2438e-01 3.1589e-02 -6.0000e+00 6.0682e-01 6.0218e-01 6.6117e-02 2.3516e-02 -6.0000e+00 2.7144e-01 5.0715e-07 -2.4345e-03 1.7266e-03 1.5316e-04 -6.0000e+00 1.9268e-02 2.6054e-03 0.0000e+00 12 9 9 12 1 1 26.29 21.17 10.41 0.00261 -0.01569 8 3 1 5 0 3569.300 21.17 15.01 14.69 18.66 1.6 731.22 -49107 900000 -62158 900000 8265 900000 138480 900000 900000 900000 900000 46070 900000 203246 900000 -30024 900000 23538 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 296 900000 900000 900000 -40987 186141 -106787 900000 900000 900000 900000 900000 900000 900000 900000 900000 103082 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3.6345e-01 1.4983e-06 -1.9516e-03 7.6653e-04 6.6341e-04 -6.0000e+00 2.5041e-02 1.0517e-03 0.0000e+00 12 9 9 12 1 1 6.99 21.17 3.64 0.00105 -0.01361 55 16 1 5 0 785.510 21.17 15.00 14.70 18.86 1.5 732.71 85293 900000 25923 900000 -35248 900000 -11686 900000 210775 256644 162048 134674 900000 120020 900000 68953 900000 15703 900000 97 900000 34318 250637 123019 -56511 238475 142996 900000 97113 900000 22702 900000 -32792 900000 -29604 900000 31099 900000 169047 900000 223642 900000 401174 312852 900000 13391 900000 6852 900000 23866 900000 15860 138009 25810 151522 51776 182108 78124 141405 122607 20225 60265 8305 72302 -13535 99724 -8875 45785 -12225 66320 29955 61871 26834 42330 34810 -18256 32363 -7130 33587 -17971 39155 -9269 39765 -9242 31053 -9819 25153 430 787 -5413 8576 1206 -9332 14218 -740 4284 -5529 5327 -11402 5151 -12302 -2613 -9508 1370 -17827 818 -4077 -3698 5010 -5449 4809 -3280 6281 -1361 5868 -2797 368 -4590 582 -2303 4325 3013 1223 7094 -1562 7878 -4846 6075 813 3197 -1457 -319 -4553 808 -61 917 1382 1886 1950 245 -3733 -2232 4813 900000 1844 900000 -2854 900000 -1089 900000 6205 7555 5168 5286 900000 4818 900000 4244 900000 1429 900000 9 900000 1929 7378 4938 -16939 7020 4975 900000 2859 900000 1337 900000 -3774 900000 -2773 900000 1748 900000 4977 900000 6584 900000 11810 9210 900000 1039 900000 513 900000 1725 900000 1570 4432 2832 5799 5944 5897 6670 5412 4692 1965 4081 1051 5321 -2391 5578 -1542 5122 -2843 8005 5556 8379 4819 5732 4304 -3332 3430 -1196 4351 -4656 6801 -3056 8897 -3591 8502 -4191 7701 166 287 -1944 2499 373 -3379 4646 -334 2157 -3565 3529 -9566 3578 -9235 -1546 -5486 730 -12386 494 -2749 -2743 3982 -5743 5323 -4326 7858 -1839 7168 -3648 475 -6499 814 -3275 5386 3531 1408 7560 -1776 7885 -5520 7082 1217 5514 -2990 -712 -11607 2140 -160 2482 3750 5088 5593 659 -9385 -5027 SS 20240918T072136.9Z 9027.306677 226 1 47.83 2 84.48 91.12 93.84 270.13 0.00 1 0.00 1 0 17 7.525e-01 1.358e-02 5.985e-02 1.523e-03 9.792451e-01 8.600982e-04 9.757213e-03 -6.000000e+00 4.253993e-01 226.73 -2.00 3.19 -2.00 322.05 0.00e+00 4.436981e-03 5.000362e-04 1.336868e-03 -6.000000e+00 1.860773e-02 280.69 -2.00 20.00 -2.00 321.63 0.00e+00 9.165 0.008 302.00 328.00 3 3.0732e-01 3.3593e-03 8.5295e-02 -6.0000e+00 1.0561e+00 6.1943e-01 5.2046e-03 5.2652e-02 -6.0000e+00 1.1448e+00 -8.6925e-01 5.6028e-03 2.9647e-02 -6.0000e+00 6.8109e-01 3.5566e-01 2.5304e-03 1.1449e-02 -6.0000e+00 2.9627e-01 1.4331e-04 -1.2209e-03 3.7315e-05 1.3672e-04 -6.0000e+00 1.9488e-02 5.9102e-04 0.0000e+00 12 8 8 10 0 0 2.83 21.17 0.44 0.00059 -0.00858 1162 296 1 5 0 41.160 21.17 15.00 14.71 19.88 1.5 739.31 -190119 -229635 -193005 -236846 -230261 -233167 -250531 -222556 -223621 -214310 -232549 -183244 -173733 -122158 -137403 -82299 -108260 -72528 -89812 -75255 -87698 -85406 -85032 -76392 -92497 -73954 -65479 -84941 -78955 -69044 -33836 -42756 -3111 -20565 -26395 -33621 -14267 -14998 5441 12680 14574 15319 10959 17083 4584 8612 7637 14521 9290 19290 14497 25516 19378 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