File name: Pandora101s1_Izana_20231004_L2Fit_fout2c12d20230620p1-8.txt File generation date: 20231005T191311.1Z 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_20231004_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: 20231004 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 20231004T072919.9Z 8677.312036 233 1 47.96 2 84.49 97.89 32.25 275.41 0.00 1 0.00 1 0 17 6.730e-01 1.253e-02 1.541e-01 3.480e-03 9.051053e-01 1.947888e-03 9.311963e-03 -6.000000e+00 3.844845e-01 226.10 -2.00 3.19 -2.00 321.89 0.00e+00 8.371122e-03 1.087860e-03 2.643313e-03 -6.000000e+00 1.682125e-02 279.51 -2.00 20.00 -2.00 321.46 0.00e+00 9.180 0.008 302.00 328.00 3 1.7515e+00 7.3621e-03 8.3019e-02 -6.0000e+00 9.5315e-01 5.5864e-01 1.1045e-02 4.7613e-02 -6.0000e+00 1.0330e+00 -7.1873e-01 1.1847e-02 2.9346e-02 -6.0000e+00 6.1454e-01 2.8764e-01 5.4238e-03 1.4396e-02 -6.0000e+00 2.6677e-01 3.5472e-05 -4.1604e-05 8.8762e-05 2.0238e-04 -6.0000e+00 1.8056e-02 -2.4737e-02 0.0000e+00 12 9 8 11 4 0 91.55 21.17 0.41 -0.02474 -0.02505 240 61 1 5 0 199.000 21.17 14.99 14.61 20.15 0.0 968.60 -209867 -153164 -217178 -153233 -235506 -215361 -242704 -106755 -185129 -177569 -213879 -186728 -144517 -166488 -112620 -105984 -88882 -86239 -52882 -70502 -92375 -82227 -68751 -82701 -65875 -64031 -61425 -52787 -72395 -27343 -55646 -27550 -26323 -5308 -34438 -7594 -19358 -9092 -5382 14531 -1862 2332 11269 15471 26713 -4541 10261 8100 15064 13556 17308 18055 19688 17505 17385 12577 2138 4167 6001 11749 659 10738 10030 13134 6134 12100 7932 9511 8634 10012 5916 6840 5061 3126 1745 -1099 -2998 -1301 562 -746 1842 -252 1022 -418 1037 -516 1240 944 1170 623 -559 -493 -2221 -1615 -2281 -654 -782 -230 -1423 -817 -1515 -1346 -58 -2073 -2445 -2155 -1537 -1320 -725 -370 -68 4 530 -431 357 -257 -15 -224 -170 49 1257 1356 898 1269 370 471 884 794 180 651 141 280 60 50 -194 -91 302 22 -251 -52 -298 -964 -2007 -945 -2613 -898 -2833 -2059 -3219 -435 -1599 -1627 -2771 -2304 -1765 -3133 -1758 -1870 -1508 -1580 -736 -1196 -1912 -1507 -1143 -1684 -1185 -1152 -1063 -824 -1449 -418 -1454 -673 -732 -122 -1005 -170 -545 -278 -192 493 -82 105 486 651 1024 -247 505 437 823 837 1175 1372 1623 1598 1669 1310 249 461 623 1136 76 1275 1409 2041 1076 1999 1405 1794 1718 2245 1485 1724 1238 711 393 -230 -632 -297 138 -227 648 -104 453 -200 518 -276 680 526 637 324 -275 -232 -1080 -868 -1466 -495 -702 -217 -1461 -818 -1388 -1176 -46 -1733 -2203 -2042 -1417 -1336 -837 -494 -102 7 848 -677 535 -381 -23 -361 -289 84 2019 2050 1315 1800 514 631 1177 1184 319 1225 295 632 146 120 -503 -243 817 60 -672 -129 -738 -2230 SS 20231004T073959.8Z 8677.319442 236 1 48.33 2 82.17 99.20 34.52 276.30 0.00 1 0.00 1 0 17 5.356e-01 8.652e-03 3.112e-02 8.907e-04 7.321775e-01 4.765766e-04 7.701783e-03 -6.000000e+00 3.060241e-01 226.10 -2.00 3.19 -2.00 321.03 0.00e+00 4.322964e-03 2.169127e-04 2.632057e-03 -6.000000e+00 1.338698e-02 279.51 -2.00 20.00 -2.00 320.54 0.00e+00 6.866 0.003 302.00 328.00 3 1.3463e+00 1.5446e-03 6.3172e-02 -6.0000e+00 7.5865e-01 1.3761e-01 2.1557e-03 3.7409e-02 -6.0000e+00 8.2220e-01 -1.7663e-01 2.2857e-03 2.2620e-02 -6.0000e+00 4.8912e-01 6.5685e-02 1.1018e-03 9.0611e-03 -6.0000e+00 2.1235e-01 3.5053e-04 4.9081e-04 2.3173e-05 1.0765e-04 -6.0000e+00 1.4369e-02 -2.5652e-02 0.0000e+00 11 9 0 11 4 0 41.90 21.17 0.29 -0.02565 -0.02196 993 253 1 5 0 48.180 21.17 15.00 14.61 20.56 0.0 973.13 -170517 -178172 -157560 -183384 -166384 -196330 -165803 -165865 -162753 -158079 -154517 -127134 -113729 -85525 -84124 -49569 -65058 -37413 -52905 -31979 -46354 -32136 -43137 -32461 -40742 -38453 -37961 -39300 -32597 -31734 -16689 -16054 -5365 -13127 -11833 -15695 -6080 -5342 195 1507 1894 1845 3686 4810 3465 4779 1952 4041 2354 6294 5092 7774 5857 6767 4523 4414 2015 2362 1292 1455 2626 3568 5596 3835 4231 2965 2863 2637 3308 2036 2168 1183 1062 328 -361 -1181 -2148 -1346 -1462 -1000 -1121 -1558 -2180 -1114 -1424 -210 -158 390 359 333 432 -378 -573 -450 -725 -520 382 -66 -222 -465 -550 -764 -60 -1137 -1739 -1187 -731 -240 253 412 325 428 288 228 188 520 193 181 -148 -357 157 643 366 339 202 10 914 687 247 51 -72 -41 -32 -216 -182 -270 380 -26 -106 -103 -212 -178 -1392 -1810 -1368 -1959 -1402 -2268 -1569 -1801 -1908 -1894 -1946 -1491 -1551 -1166 -1439 -719 -1254 -611 -1089 -561 -950 -578 -925 -688 -1012 -975 -959 -990 -795 -887 -500 -581 -201 -547 -468 -661 -266 -283 12 108 150 157 323 427 319 449 196 420 266 753 636 1062 899 1116 806 821 391 448 240 269 510 779 1383 1080 1226 854 833 822 1173 837 960 540 468 135 -134 -400 -713 -475 -607 -496 -597 -945 -1442 -773 -1058 -163 -128 320 290 255 308 -257 -387 -329 -615 -477 403 -79 -264 -583 -629 -776 -57 -1132 -1874 -1338 -871 -308 337 622 505 692 462 351 294 791 302 300 -242 -595 252 1048 577 517 297 14 1268 1047 407 96 -137 -83 -68 -496 -420 -645 917 -62 -255 -235 -476 -375 SS 20231004T075602.7Z 8677.330587 241 1 47.84 2 78.69 101.21 37.94 277.60 0.00 1 0.00 1 0 17 1.609e-01 5.703e-03 1.516e-02 7.124e-04 5.581466e-01 3.679584e-04 5.880838e-03 -6.000000e+00 9.194475e-02 226.10 -2.00 3.19 -2.00 319.90 0.00e+00 1.728860e-03 1.178116e-04 5.205169e-04 -6.000000e+00 4.022171e-03 279.51 -2.00 20.00 -2.00 319.34 0.00e+00 4.936 0.001 302.00 328.00 3 2.7004e+00 1.0572e-03 4.5611e-02 -6.0000e+00 2.2794e-01 4.5004e-02 1.2881e-03 2.6369e-02 -6.0000e+00 2.4703e-01 -3.5520e-02 1.1648e-03 1.3867e-02 -6.0000e+00 1.4696e-01 5.9114e-03 6.0722e-04 4.9670e-03 -6.0000e+00 6.3800e-02 4.3562e-04 6.9688e-04 1.9238e-05 4.8454e-05 -6.0000e+00 4.3173e-03 -2.5526e-02 0.0000e+00 11 1 0 11 4 0 57.12 21.17 0.22 -0.02553 -0.02029 566 144 1 5 0 84.510 21.17 15.00 14.60 21.45 0.0 979.47 -58276 -39280 -50822 -49751 -69350 -65300 -49580 -55341 -46250 -48392 -43184 -40756 -25467 -22901 -12796 -14352 -5922 -7141 -3778 -7366 -8974 -8929 -6140 -6657 -7323 -5790 -7881 -7561 -7965 -4524 -2863 4 -2639 -1916 -4786 -3633 -2367 -981 134 -126 202 132 591 1324 1441 813 1914 402 1431 1730 1632 1902 1918 1510 1162 1255 -213 254 133 944 933 2105 1930 1601 831 1039 253 886 1108 318 347 49 157 -263 -299 -886 -897 -984 -775 -1270 -952 -1856 -1730 -1130 -969 -302 114 320 440 749 629 392 409 564 -6 181 538 135 -242 -296 -649 -439 447 -747 -1276 -949 -646 -241 521 250 387 164 359 168 484 477 247 159 -196 -532 -313 267 62 263 83 59 783 869 104 142 -207 -39 -63 -118 -161 -234 353 9 -183 -102 -101 -132 -761 -477 -717 -653 -1031 -948 -689 -942 -803 -911 -816 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