File name: Pandora141s1_Calakmul_20241022_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241023T060611.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 141 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20241022_L1_smca1c3d20231011p1-8.txt Full location name: Calakmul Atmospheric Observatory Short location name: Calakmul Country of location: Mexico Location latitude [deg]: 18.5956 Location longitude [deg]: -89.4137 Location altitude [m]: 275 Local noon date: 20241022 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB session based on session 2 First and last pixel inside fitting window: 238 379 Nominal wavelengths inside fitting window [nm]: 305.1074 305.2483 305.3892 305.5302 305.6711 305.8120 305.9528 306.0937 306.2346 306.3754 306.5163 306.6571 306.7979 306.9387 307.0795 307.2203 307.3611 307.5018 307.6426 307.7833 307.9240 308.0647 308.2054 308.3461 308.4868 308.6275 308.7681 308.9088 309.0494 309.1900 309.3306 309.4712 309.6118 309.7524 309.8930 310.0335 310.1741 310.3146 310.4551 310.5956 310.7361 310.8766 311.0171 311.1575 311.2980 311.4384 311.5788 311.7192 311.8596 312.0000 312.1404 312.2808 312.4211 312.5615 312.7018 312.8421 312.9824 313.1227 313.2630 313.4033 313.5435 313.6838 313.8240 313.9643 314.1045 314.2447 314.3849 314.5251 314.6652 314.8054 314.9455 315.0857 315.2258 315.3659 315.5060 315.6461 315.7862 315.9262 316.0663 316.2063 316.3463 316.4864 316.6264 316.7664 316.9063 317.0463 317.1863 317.3262 317.4662 317.6061 317.7460 317.8859 318.0258 318.1657 318.3055 318.4454 318.5852 318.7250 318.8649 319.0047 319.1445 319.2842 319.4240 319.5638 319.7035 319.8433 319.9830 320.1227 320.2624 320.4021 320.5418 320.6814 320.8211 320.9607 321.1003 321.2400 321.3796 321.5192 321.6588 321.7983 321.9379 322.0774 322.2170 322.3565 322.4960 322.6355 322.7750 322.9145 323.0539 323.1934 323.3328 323.4723 323.6117 323.7511 323.8905 324.0299 324.1692 324.3086 324.4479 324.5873 324.7266 324.8659 --------------------------------------------------------------------------------------- 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 20241022T125840.5Z 9061.540747 281 1 20.68 2 75.99 107.33 36.26 293.12 0.00 1 0.00 1 0 17 1.209e-01 7.377e-03 1.004e-01 4.563e-03 4.526045e-01 2.479039e-03 4.844406e-03 -6.000000e+00 7.367524e-02 226.79 -2.00 3.11 -2.00 319.61 0.00e+00 1.239321e-03 7.466212e-04 9.937860e-04 -6.000000e+00 3.367968e-03 292.84 -2.00 20.00 -2.00 318.80 0.00e+00 4.036 0.000 302.00 328.00 3 3.9725e+00 7.1144e-03 4.4164e-02 -6.0000e+00 1.8182e-01 4.0700e-02 8.5279e-03 2.1692e-02 -6.0000e+00 1.9572e-01 1.2521e-02 6.6575e-03 1.0658e-02 -6.0000e+00 1.1747e-01 -1.2686e-02 3.4940e-03 2.9904e-03 -6.0000e+00 5.1055e-02 1.1921e-04 -8.4506e-04 1.4445e-04 4.0300e-05 -6.0000e+00 3.7344e-03 -4.9738e-02 -5.7957e-05 12 9 1 12 9 1 99.97 19.84 0.16 -0.04974 -0.05609 17 52 1 5 0 1148.400 26.00 20.02 19.84 32.04 31.0 984.95 84369 -42775 -8782 -46749 29075 -48998 24088 -2198 -9624 -1579 -26908 18110 -23603 14946 -22183 20718 -19650 4569 -649 -4788 1236 -10370 14996 -16822 8296 -8050 -2870 2591 -7837 9350 -2804 13686 -8171 2532 -3913 -293 2079 -6524 -4154 -3667 1646 -726 1559 -1316 1875 -1508 -107 -1027 -3027 -914 -1097 1952 136 4531 1226 1127 2084 -1777 1922 177 1927 182 3034 2776 1463 1626 -1251 1642 613 2237 -362 979 652 -539 893 -901 -1024 -1895 408 -365 -1406 -1960 -2220 -1545 -977 -116 -690 471 130 1467 -144 265 938 100 271 -140 576 -4 175 -298 -817 -980 -493 21 -1228 -628 -1304 -222 -184 1141 554 -105 405 -304 269 356 238 253 594 134 -96 653 158 67 315 -369 28 597 88 -25 228 -415 -189 -246 211 -242 114 175 -55 -10 -300 -151 514 -958 -152 -1127 329 -1120 299 -39 -205 -34 -759 368 -823 439 -1088 781 -1186 237 -38 -304 77 -729 863 -1395 584 -692 -237 199 -655 687 -254 1207 -979 287 -467 -34 257 -1021 -756 -771 365 -176 386 -342 480 -402 -28 -278 -851 -263 -339 638 49 1655 483 460 861 -761 789 74 817 84 1493 1464 799 867 -664 860 348 1380 -246 683 456 -368 566 -536 -573 -1060 238 -240 -1042 -1600 -1942 -1415 -938 -117 -723 501 138 1509 -142 248 836 91 259 -147 662 -5 230 -391 -1035 -1169 -564 25 -1493 -796 -1729 -305 -267 1739 889 -173 659 -480 406 522 350 383 932 217 -157 1053 250 104 473 -540 40 868 136 -41 393 -742 -348 -470 417 -495 238 369 -116 -21 -605 -297 SS 20241022T132940.4Z 9061.562273 297 1 47.82 2 69.04 110.56 42.86 292.11 0.00 1 0.00 1 0 17 2.811e-02 7.369e-03 2.328e-02 3.996e-03 3.238560e-01 2.137847e-03 3.537871e-03 -6.000000e+00 1.714841e-02 226.79 -2.00 3.11 -2.00 318.33 0.00e+00 8.474930e-04 4.270630e-04 7.397224e-04 -6.000000e+00 7.831275e-04 292.84 -2.00 20.00 -2.00 317.46 0.00e+00 2.768 0.000 302.00 328.00 3 5.6321e+00 5.7559e-03 3.0551e-02 -6.0000e+00 4.2321e-02 9.5775e-02 6.5666e-03 1.5297e-02 -6.0000e+00 4.5543e-02 9.6345e-03 4.2655e-03 7.4159e-03 -6.0000e+00 2.7336e-02 -1.1804e-02 2.2226e-03 2.0615e-03 -6.0000e+00 1.1891e-02 8.4460e-05 7.6980e-05 1.2867e-04 2.5957e-05 -6.0000e+00 8.6797e-04 -5.1572e-02 1.1450e-04 12 9 1 12 9 1 99.99 19.85 0.30 -0.05157 -0.05099 20 26 1 5 0 2276.450 26.00 19.97 19.85 32.98 31.1 985.27 7256 -13854 647 -7080 -7630 -594 -6596 9561 5922 -1240 -1319 -7705 6257 1416 -5791 -2364 -8406 -5464 7282 3264 2536 3420 3307 1427 -2223 604 -2078 1219 304 -999 4285 5634 415 -4215 -1123 -5265 -464 -3465 819 -129 -1136 -382 -1286 943 -1740 683 -491 -1248 -1571 -193 -530 -668 1549 84 2228 575 619 -193 -236 1639 1374 1917 2330 1975 639 728 -962 151 1006 484 821 241 1407 675 842 -559 -1777 -1278 -1832 -1962 -1518 -1918 -1140 -1232 -1054 -146 166 434 883 168 113 -610 -1081 -662 -243 166 170 871 239 -385 -288 -687 -1127 -340 -1574 -627 -463 -1 917 872 1206 842 573 262 -345 -240 10 67 71 232 14 430 575 230 -193 -610 -231 -214 217 113 -494 -431 -276 94 -209 74 222 412 -69 -125 -27 -275 342 -881 37 -422 -425 -30 -368 510 362 -86 -94 -611 489 134 -676 -297 -1198 -797 986 477 383 517 512 237 -405 111 -391 215 52 -173 750 1068 89 -976 -247 -1199 -109 -966 258 -47 -456 -161 -565 412 -783 301 -217 -550 -694 -86 -248 -335 809 47 1254 337 368 -116 -139 954 825 1217 1587 1420 469 512 -654 101 706 374 679 208 1203 562 660 -409 -1222 -851 -1280 -1511 -1287 -1774 -1113 -1263 -1136 -164 194 520 1052 196 125 -635 -1067 -644 -246 182 203 1114 321 -517 -371 -834 -1327 -404 -1983 -822 -630 -2 1342 1344 1925 1364 913 400 -501 -335 14 97 106 360 23 673 879 342 -278 -853 -314 -293 310 172 -785 -701 -458 161 -373 137 419 785 -133 -235 -50 -492 SS 20241022T133548.9Z 9061.566538 300 1 60.65 2 67.68 111.26 44.17 292.01 0.00 1 0.00 1 0 25 2.045e-02 6.734e-03 1.561e-02 3.194e-03 3.032388e-01 1.706911e-03 3.306724e-03 -6.000000e+00 1.246547e-02 226.79 -2.00 3.11 -2.00 318.10 0.00e+00 6.860337e-04 3.175592e-04 4.756176e-04 -6.000000e+00 5.697394e-04 292.84 -2.00 20.00 -2.00 317.21 0.00e+00 2.611 0.000 302.00 328.00 3 5.6994e+00 4.5628e-03 2.8735e-02 -6.0000e+00 3.0763e-02 8.0530e-02 5.1804e-03 1.4175e-02 -6.0000e+00 3.3113e-02 6.2831e-03 3.2848e-03 6.9124e-03 -6.0000e+00 1.9874e-02 -6.7800e-03 1.6947e-03 1.9358e-03 -6.0000e+00 8.6396e-03 9.5305e-05 -3.8779e-04 1.0314e-04 2.4895e-05 -6.0000e+00 6.3165e-04 -5.0540e-02 -2.8231e-05 11 9 0 11 8 0 99.95 19.83 0.25 -0.05054 -0.05345 21 21 1 5 0 2887.490 26.00 20.01 19.83 33.27 31.1 985.39 -2948 -3362 3746 -2411 -1463 -14062 5408 -7503 -1274 -522 -106 -3094 -6019 1359 2055 1186 -831 2837 2250 947 -1409 -223 1575 359 3987 -2908 734 -1872 193 2624 1887 4745 -4 -334 -5266 -373 -2098 -822 -1309 -1117 -74 -246 440 -1339 -660 -1072 -695 -847 -2522 -642 -277 1750 581 1927 1194 986 580 653 -373 541 697 739 2293 1377 870 -208 -523 316 660 1079 227 488 846 -100 -57 -959 -1297 -1879 -1426 -1527 -1530 -1350 -1143 -991 -759 -116 357 682 539 484 311 681 59 -572 -475 -66 1204 331 12 -306 -641 -1003 -462 -851 -1209 -954 -982 68 788 1508 821 744 551 -39 13 -60 -60 -102 46 -106 120 113 -108 369 234 -428 20 277 65 74 -240 -608 -428 151 -210 37 84 346 285 -141 -206 -143 -187 -236 254 -166 -92 -965 324 -566 -100 -43 -9 -279 -624 151 260 167 -127 440 366 162 -252 -40 282 68 777 -625 152 -382 37 492 376 1005 -1 -82 -1318 -89 -547 -245 -459 -446 -32 -112 205 -644 -316 -516 -330 -398 -1198 -305 -137 908 323 1107 713 604 362 406 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