File name: Pandora141s1_Calakmul_20241103_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241105T122850.4Z 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_20241103_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: 20241103 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 20241103T125602.1Z 9073.538914 67 1 60.29 2 77.95 110.90 101.42 113.26 0.00 1 0.00 1 0 17 2.715e-01 1.287e-02 2.691e-01 1.058e-02 5.023981e-01 5.893173e-03 5.506552e-03 -6.000000e+00 1.655901e-01 226.38 -2.00 3.11 -2.00 320.28 0.00e+00 -5.748254e-05 2.152042e-03 2.062148e-03 -6.000000e+00 7.550921e-03 292.48 -2.00 20.00 -2.00 319.53 0.00e+00 4.643 0.000 302.00 328.00 3 5.0680e+00 1.7947e-02 5.1264e-02 -6.0000e+00 4.0836e-01 1.6309e-01 2.2365e-02 2.7527e-02 -6.0000e+00 4.3932e-01 -1.8667e-02 1.8562e-02 1.2009e-02 -6.0000e+00 2.6374e-01 -6.0566e-03 9.4855e-03 3.9961e-03 -6.0000e+00 1.1504e-01 2.0192e-05 -1.5775e-03 3.3804e-04 4.4922e-05 -6.0000e+00 8.3783e-03 -6.4608e-02 1.4287e-04 12 9 8 11 8 0 99.87 19.90 0.64 -0.06461 -0.07646 21 21 1 5 0 2870.530 26.00 20.00 19.90 31.57 31.5 981.73 -97035 -26557 -83299 -2944 -142847 -17582 -22142 199651 88834 -11976 -14704 -23318 -24515 5337 46111 -32465 14849 56928 11280 16032 -17947 -601 -4266 37424 5988 2894 -26628 15396 7091 -7281 -10882 -10937 18816 -1477 5306 -13655 -10165 -11042 -8399 -389 -4739 -4643 11221 7124 -5828 4020 -2549 13440 4684 -6508 10088 -2863 4472 -2412 8114 4173 1014 -1102 -422 5459 -740 -2472 3544 2406 3115 -1834 3234 3066 4008 1570 -1310 344 2737 -210 4996 238 -2878 -1704 -708 -2203 -1653 -1361 -2701 -2372 -2177 1468 -279 -899 -572 -510 1940 -1775 -1949 -1684 -2254 1842 -241 1012 873 -514 -908 -1932 -280 -136 35 -563 -333 -114 1318 673 231 1740 376 1503 -1303 699 -1592 340 -323 1260 883 217 -743 -103 802 -789 311 122 -153 -738 -756 41 -594 -287 -590 78 1542 240 -883 343 230 -406 -1838 -299 -1729 -30 -4898 -181 -250 2059 916 -172 -230 -431 -534 106 751 -1284 420 1178 383 550 -879 -26 -194 1239 288 152 -1881 720 352 -422 -717 -823 1204 -122 410 -1259 -971 -1238 -1101 -56 -796 -842 1837 1243 -1163 738 -503 2308 896 -1447 2064 -725 1151 -711 2286 1274 328 -365 -137 1665 -245 -890 1331 993 1332 -811 1323 1265 1760 787 -739 201 1572 -120 2532 116 -1334 -767 -335 -1198 -1020 -938 -2054 -1913 -1861 1286 -261 -874 -554 -481 1695 -1505 -1569 -1354 -1943 1705 -255 1178 1091 -657 -1116 -2220 -299 -145 39 -666 -413 -148 1816 1011 372 2880 629 2406 -2032 1028 -2375 513 -514 2057 1464 357 -1196 -160 1193 -1145 435 174 -234 -1236 -1358 76 -1162 -586 -1269 174 3494 557 -2076 781 506 -860 SS 20241103T130217.9Z 9073.543263 70 1 61.01 2 76.56 111.52 100.11 113.65 0.00 1 0.00 1 0 25 4.144e-01 1.160e-02 2.086e-01 7.289e-03 4.551218e-01 4.024010e-03 4.872001e-03 -6.000000e+00 2.524295e-01 226.38 -2.00 3.11 -2.00 319.97 0.00e+00 5.806876e-04 1.339072e-03 5.750752e-04 -6.000000e+00 1.167841e-02 292.48 -2.00 20.00 -2.00 319.18 0.00e+00 4.198 0.000 302.00 328.00 3 5.1759e+00 1.1886e-02 4.5520e-02 -6.0000e+00 6.2251e-01 1.0704e-01 1.4518e-02 2.1616e-02 -6.0000e+00 6.7002e-01 -4.0499e-03 1.1760e-02 1.0672e-02 -6.0000e+00 4.0243e-01 -7.4471e-03 6.0955e-03 3.0470e-03 -6.0000e+00 1.7578e-01 2.9698e-05 -1.6799e-03 2.3712e-04 4.0719e-05 -6.0000e+00 1.2814e-02 -6.1631e-02 -1.6266e-04 12 9 8 11 8 0 99.99 19.90 0.53 -0.06163 -0.07426 16 16 1 5 0 3812.600 26.00 19.99 19.90 31.68 31.4 981.81 330520 -70869 900000 -43822 109746 223296 -29351 -26029 165628 15129 -43266 64123 -43022 35852 -18442 8687 -162 -24805 69820 -6618 25020 -5190 61993 23093 6374 8079 -793 4334 -11568 19392 -7669 14191 1145 837 3945 -9091 22786 -15968 9571 -12658 11106 3078 1826 195 -5927 7431 -8996 8497 -2608 4015 81 1651 -5807 -1288 3491 -1388 4718 -5437 4172 -1217 1550 2743 663 6333 -1944 4393 -1126 278 -2215 1674 1832 -628 2126 -1756 1066 -2983 959 -3553 -3085 -161 -1391 49 -2286 72 -1872 -168 -863 1629 972 261 735 -363 -561 -1029 -494 424 1355 365 96 -70 -1508 680 -1533 696 -1485 -187 50 -848 801 596 1387 481 1039 149 285 138 -350 65 -866 413 -567 -199 -576 914 169 -1188 102 410 -34 -536 709 -1613 298 -95 -116 198 484 -21 -355 -13 263 153 2348 -1774 900000 -889 780 1587 -506 -491 1177 234 -1225 712 -1532 728 -743 311 -7 -1450 1777 -365 1058 -297 1947 1122 391 513 -55 282 -858 1096 -614 1047 106 82 373 -973 1943 -2301 1294 -2473 1935 621 390 43 -1411 1573 -2240 1807 -629 946 21 466 -1904 -432 1175 -508 1671 -2124 1472 -449 574 1078 292 2853 -976 2034 -530 130 -1138 922 1099 -403 1336 -1103 610 -1627 469 -1779 -1634 -93 -926 36 -1844 60 -1692 -158 -858 1632 979 258 684 -320 -469 -864 -440 415 1467 439 122 -90 -1883 775 -1694 758 -1732 -228 63 -1145 1134 908 2226 802 1712 238 432 201 -511 97 -1373 673 -945 -326 -923 1402 252 -1729 142 583 -52 -884 1231 -2975 559 -187 -239 423 1058 -47 -795 -28 556 313 SS 20241103T131658.8Z 9073.553458 76 1 12.74 2 73.35 113.05 97.06 114.63 0.00 1 0.00 1 0 25 3.314e-02 6.095e-03 2.476e-02 2.969e-03 3.852316e-01 1.596520e-03 4.145958e-03 -6.000000e+00 2.021631e-02 226.38 -2.00 3.11 -2.00 318.67 0.00e+00 6.406920e-04 3.564434e-04 4.357169e-04 -6.000000e+00 9.218540e-04 292.48 -2.00 20.00 -2.00 317.82 0.00e+00 3.434 0.000 302.00 328.00 3 3.5522e+00 4.3480e-03 3.7464e-02 -6.0000e+00 4.9855e-02 1.7729e-02 5.0024e-03 1.7993e-02 -6.0000e+00 5.3635e-02 1.1874e-02 3.4572e-03 8.8223e-03 -6.0000e+00 3.2199e-02 -1.1103e-02 1.8309e-03 2.4913e-03 -6.0000e+00 1.4045e-02 3.4914e-04 -5.8792e-04 9.4415e-05 3.1695e-05 -6.0000e+00 1.0229e-03 -6.5681e-02 1.0339e-04 12 1 1 12 9 1 99.84 19.91 0.23 -0.06568 -0.07010 19 94 1 5 0 636.490 26.00 20.00 19.91 32.06 31.3 982.03 -15159 -6017 -16063 -1339 -11586 -5149 -1458 -11506 4561 -14590 358 -11555 7763 3403 -206 4001 -2222 1816 -4891 752 -3813 1813 2893 390 1515 -684 -652 -4137 2669 -2450 2342 1773 3635 -950 -4463 -609 -636 -1103 -1967 -547 -1175 -1429 -334 -99 -97 -1512 350 -2322 995 -1442 626 1437 598 1308 587 968 229 39 -306 437 2142 1324 2397 789 1424 172 133 -462 663 998 510 809 309 1173 39 -24 -720 -223 -1022 -1480 -1063 -1209 -1483 -2030 -1210 -677 -57 535 53 -232 447 533 -319 677 284 620 824 477 -41 -503 -243 -1181 -228 -193 -817 -980 -1175 -425 452 688 445 552 141 415 169 282 329 552 238 -234 -383 -227 39 117 297 -113 482 790 368 319 -55 -309 -292 -79 -218 34 46 3 -141 -183 -68 -44 -531 -219 -679 -48 -433 -175 -50 -486 185 -760 17 -647 412 221 -16 342 -219 184 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