File name: Pandora101s1_Izana_20231012_L2Fit_fout2c12d20230620p1-8.txt File generation date: 20231013T052632.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Alberto Redondas Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 101 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora101_OF_v3d20220624.txt Instrument calibration file used: Pandora101s1_CF_v12d20230620.txt Level 1 file used: Pandora101s1_Izana_20231012_L1_smca1c12d20230620p1-8.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: 20231012 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 session based on clearance session 11 First and last pixel inside fitting window: 222 363 Nominal wavelengths inside fitting window [nm]: 305.1333 305.2742 305.4151 305.5559 305.6968 305.8376 305.9784 306.1192 306.2600 306.4008 306.5416 306.6823 306.8231 306.9638 307.1045 307.2452 307.3859 307.5266 307.6673 307.8080 307.9486 308.0893 308.2299 308.3706 308.5112 308.6518 308.7924 308.9329 309.0735 309.2141 309.3546 309.4951 309.6357 309.7762 309.9167 310.0572 310.1976 310.3381 310.4786 310.6190 310.7594 310.8998 311.0403 311.1807 311.3210 311.4614 311.6018 311.7421 311.8825 312.0228 312.1631 312.3034 312.4437 312.5840 312.7243 312.8645 313.0048 313.1450 313.2852 313.4254 313.5656 313.7058 313.8460 313.9862 314.1263 314.2665 314.4066 314.5467 314.6869 314.8270 314.9670 315.1071 315.2472 315.3872 315.5273 315.6673 315.8073 315.9473 316.0873 316.2273 316.3673 316.5073 316.6472 316.7871 316.9271 317.0670 317.2069 317.3468 317.4867 317.6265 317.7664 317.9062 318.0461 318.1859 318.3257 318.4655 318.6053 318.7451 318.8848 319.0246 319.1643 319.3041 319.4438 319.5835 319.7232 319.8629 320.0025 320.1422 320.2819 320.4215 320.5611 320.7007 320.8403 320.9799 321.1195 321.2591 321.3986 321.5382 321.6777 321.8172 321.9568 322.0962 322.2357 322.3752 322.5147 322.6541 322.7936 322.9330 323.0724 323.2118 323.3512 323.4906 323.6300 323.7693 323.9087 324.0480 324.1873 324.3266 324.4659 324.6052 324.7445 324.8838 --------------------------------------------------------------------------------------- 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 20231012T071807.9Z 8685.304258 90 1 35.18 2 87.91 99.48 61.32 99.58 0.00 1 0.00 1 0 25 6.225e-01 7.952e-02 4.192e-01 5.019e-02 1.167340e+00 3.028083e-02 1.263620e-02 -6.000000e+00 3.626024e-01 225.77 -2.00 3.19 -2.00 321.38 0.00e+00 -3.435868e-02 8.948497e-03 3.630893e-03 -6.000000e+00 1.906201e-02 278.88 -2.00 20.00 -2.00 320.81 0.00e+00 16.050 0.043 302.00 328.00 3 -6.3054e-01 9.0953e-02 1.4421e-01 -6.0000e+00 8.9656e-01 2.9992e+00 1.0624e-01 9.7793e-02 -6.0000e+00 9.7309e-01 -2.2423e+00 6.6722e-02 2.7331e-02 -6.0000e+00 5.7797e-01 7.1744e-01 3.5874e-02 3.2379e-02 -6.0000e+00 2.5394e-01 8.9369e-07 -2.8047e-03 1.1503e-03 3.7888e-04 -6.0000e+00 1.7457e-02 -2.3140e-02 0.0000e+00 12 9 9 12 5 1 -15.51 21.06 5.14 -0.02314 -0.04422 10 4 1 5 0 3197.990 21.06 15.00 14.51 17.93 0.0 952.84 -21652 158789 83797 900000 -48416 900000 101144 136337 900000 -18188 900000 233366 900000 10751 900000 29158 20879 8209 169866 900000 26963 27070 66630 900000 62698 900000 -695 900000 -33196 900000 44040 67735 5139 111962 -69707 77302 94100 -22689 215004 163031 161855 39736 900000 200304 900000 -28544 37246 1163 900000 -411 91235 2033 -7534 106918 99426 110055 -59486 69079 5909 85799 -52916 183537 22930 59604 -28701 58136 54454 3100 24699 38345 45931 29878 24217 34961 52769 -23709 48884 -31443 26246 -30566 19330 21156 13783 24394 21523 7175 11125 27938 -10014 16948 -5297 17260 -1114 27727 -9328 6572 -6308 -4512 -2237 395 96 -12892 4946 -11886 -2255 -14173 8814 -6852 3882 -5420 10831 -1057 10484 -1456 2902 -11358 -3946 3378 -1593 5784 -2304 6826 -5664 13137 -2304 8828 376 -1613 -2655 955 -1647 -1786 -3414 2076 3256 -2177 4137 -2128 2056 -974 85 -2975 -3434 7749 4089 900000 -5316 900000 4936 6653 900000 -2589 900000 11388 900000 1312 900000 3201 2462 1165 8289 900000 2512 2402 4434 900000 6119 900000 -114 900000 -5007 900000 3321 4507 684 5464 -17008 4115 4592 -4328 10492 7956 7898 6522 900000 9775 900000 -5952 3800 170 900000 -69 6881 415 -1838 9012 9704 10253 -30612 10113 1284 7955 -16667 8956 4364 8726 -9549 8795 8769 908 6629 10105 11880 9040 7209 8189 8755 -7289 6918 -10587 5763 -14170 6414 7950 6121 10238 9663 3816 5755 11997 -5962 7113 -2559 6401 -511 10689 -6145 4361 -5541 -4448 -2314 389 86 -11261 3210 -9107 -1661 -12242 6366 -6320 3713 -6718 13161 -1578 14427 -2239 4121 -18069 -5893 4863 -2488 8270 -3329 8261 -7379 13784 -2733 9004 412 -2022 -4055 1660 -3320 -3939 -8297 5186 8627 -5728 11264 -5570 5487 -2470 192 -6227 SS 20231012T073354.5Z 8685.315214 97 1 47.83 2 84.50 101.40 58.01 101.84 0.00 1 0.00 1 0 17 7.112e-01 1.404e-02 6.305e-02 1.824e-03 9.271436e-01 1.022467e-03 9.474726e-03 -6.000000e+00 4.058041e-01 225.77 -2.00 3.19 -2.00 321.92 0.00e+00 6.672216e-03 5.690045e-04 3.751352e-03 -6.000000e+00 1.773008e-02 278.88 -2.00 20.00 -2.00 321.51 0.00e+00 9.192 0.008 302.00 328.00 3 5.2774e-01 3.8349e-03 8.4176e-02 -6.0000e+00 1.0055e+00 5.9428e-01 5.7688e-03 4.9448e-02 -6.0000e+00 1.0901e+00 -8.0074e-01 6.1741e-03 3.0727e-02 -6.0000e+00 6.4841e-01 3.2511e-01 2.8276e-03 1.3223e-02 -6.0000e+00 2.8152e-01 1.1832e-04 8.2621e-05 4.5912e-05 1.9739e-04 -6.0000e+00 1.9080e-02 -2.4811e-02 0.0000e+00 12 9 8 11 4 0 -6.71 21.06 0.41 -0.02481 -0.02419 773 197 1 5 0 61.870 21.06 15.00 14.51 19.13 0.0 960.71 -200141 -216947 -198804 -226247 -218281 -233416 -202689 -226499 -190784 -232530 -191052 -195485 -150556 -134821 -127932 -94816 -83215 -58686 -64913 -50479 -74948 -57413 -87574 -56638 -83359 -59528 -76863 -74982 -72141 -50094 -43936 -25054 -19547 -22159 -19944 -29658 -512 -15756 15598 9397 17235 12026 22068 13264 16352 9062 10085 12111 15318 18867 22192 20788 20680 23207 21499 20251 11541 12430 9663 10370 10784 13156 12572 13733 13654 11731 10534 9704 9899 9628 9911 7126 6401 3606 1857 -2397 -4108 -3629 -2437 -129 786 485 -236 376 172 918 462 1453 781 849 -643 -1122 -2122 -2285 -2295 -1506 -886 -934 -888 -953 -1321 -1299 -712 -2557 -2422 -2442 -1841 -1224 -741 -495 -92 -3 -54 -19 2 254 -144 224 26 227 943 1637 1128 1088 608 540 1079 620 422 503 291 320 107 -87 -243 -135 503 -87 -177 -308 -505 -827 -1942 -2806 -2186 -3000 -2400 -2906 -1966 -3040 -1912 -3684 -2162 -2876 -2115 -2182 -2255 -1585 -1406 -856 -1062 -727 -1346 -848 -1822 -927 -1868 -1069 -1613 -1507 -1475 -980 -1039 -606 -515 -611 -507 -833 -12 -518 455 339 635 496 856 569 689 424 490 618 823 1091 1417 1520 1670 1981 1965 1941 1215 1256 956 1000 1095 1493 1686 2079 2178 1911 1791 1805 1924 2144 2364 1769 1523 803 410 -499 -861 -836 -609 -39 277 197 -105 177 86 481 253 798 423 435 -313 -528 -1027 -1238 -1479 -1156 -733 -894 -913 -962 -1216 -1140 -572 -2156 -2190 -2134 -1711 -1245 -863 -669 -140 -5 -82 -27 3 383 -226 340 41 363 1428 2510 1676 1573 858 736 1465 948 709 975 629 691 248 -218 -653 -375 1402 -245 -487 -794 -1196 -1819 SS 20231012T074430.5Z 8685.322575 100 1 47.91 2 82.22 102.72 55.79 103.44 0.00 1 0.00 1 0 17 5.687e-01 9.151e-03 1.813e-02 5.494e-04 7.476655e-01 2.943770e-04 7.818593e-03 -6.000000e+00 3.244903e-01 225.77 -2.00 3.19 -2.00 321.07 0.00e+00 4.339191e-03 1.350221e-04 2.722429e-03 -6.000000e+00 1.417733e-02 278.88 -2.00 20.00 -2.00 320.58 0.00e+00 6.903 0.003 302.00 328.00 3 3.7347e-01 9.6362e-04 6.3886e-02 -6.0000e+00 8.0399e-01 1.6016e-01 1.3432e-03 3.8297e-02 -6.0000e+00 8.7168e-01 -2.0219e-01 1.4246e-03 2.3227e-02 -6.0000e+00 5.1849e-01 7.6495e-02 6.8524e-04 9.3216e-03 -6.0000e+00 2.2511e-01 8.8360e-04 5.3209e-04 1.4298e-05 1.1586e-04 -6.0000e+00 1.5257e-02 -2.4832e-02 0.0000e+00 11 9 0 11 4 0 -10.49 21.06 0.29 -0.02483 -0.02083 2450 624 1 5 0 19.520 21.06 15.00 14.50 19.80 0.0 967.75 -193004 -181001 -177811 -187687 -193507 -191405 -188613 -175115 -165826 -166516 -159077 -140977 -116215 -96139 -77911 -63488 -53687 -44879 -41880 -42616 -44405 -46070 -42266 -40069 -40209 -34596 -41754 -40854 -37954 -29734 -18836 -12336 -7905 -8084 -12870 -13061 -7632 -3717 -8 2256 2814 2997 4042 5521 5202 3748 5120 4552 4059 5927 6723 7698 7179 6426 5618 4845 2770 2673 1639 2047 3174 4259 5131 4277 4100 3789 2456 2517 3146 2509 2215 1472 1241 60 -385 -1466 -1953 -2042 -889 -1159 -960 -1661 -2030 -1300 -1146 -467 -91 280 277 473 165 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