File name: Pandora141s1_Calakmul_20240814_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20260427T091140.0Z 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 v1.8.88 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20240814_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: 20240814 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 20240814T125500.6Z 8992.538201 78 1 60.19 2 73.30 80.36 170.63 204.55 0.00 1 0.00 1 0 17 9.285e-02 6.810e-03 8.600e-02 4.648e-03 4.114313e-01 2.511860e-03 4.354970e-03 -6.000000e+00 5.634649e-02 227.28 -2.00 3.11 -2.00 319.68 0.00e+00 1.063573e-03 7.583399e-04 6.023410e-04 -6.000000e+00 2.593699e-03 293.76 -2.00 20.00 -2.00 318.82 0.00e+00 3.425 0.000 302.00 328.00 3 5.3170e+00 7.2907e-03 3.8025e-02 -6.0000e+00 1.3914e-01 1.0114e-02 8.7453e-03 1.9339e-02 -6.0000e+00 1.5004e-01 1.4309e-02 6.6349e-03 9.5831e-03 -6.0000e+00 9.0060e-02 -1.5166e-02 3.4481e-03 2.7390e-03 -6.0000e+00 3.8846e-02 5.8771e-05 -9.3519e-04 1.5233e-04 3.6274e-05 -6.0000e+00 2.8746e-03 -6.9640e-03 -1.6875e-04 11 9 0 11 8 0 99.96 20.95 0.33 -0.00696 -0.01399 24 24 1 5 0 2507.810 26.94 20.00 20.95 31.91 22.0 983.89 -19397 23622 14050 -15994 55652 3487 59815 35626 -2696 -14361 -14466 -1806 -17629 -3058 -6439 21145 6310 -16346 -3748 -6017 77 1282 -5020 2784 -4001 -15724 -1548 -8595 1195 -1465 234 3224 804 10287 1083 -2481 -5907 -4394 -2925 907 2105 -1439 -2201 218 3778 -1590 1962 -1572 -2557 -2151 155 1560 -658 3087 2729 959 1139 1600 -24 290 -178 -1210 3797 1243 323 572 1690 1063 1507 1522 -1788 702 59 758 -58 -327 -508 -2216 -1165 -1675 -1041 -2015 -936 -1728 -15 -312 -224 594 297 227 380 758 1788 893 -175 1430 -102 708 2 -662 -823 -918 -345 -28 -870 -1264 -110 -294 79 -93 184 -249 -690 141 300 850 489 572 396 552 48 521 -423 -36 22 -154 588 696 137 88 -73 -185 -114 -131 -402 -114 210 -67 78 -504 216 70 -397 356 238 -343 576 59 651 550 -66 -412 -436 -53 -711 -128 -324 918 342 -1171 -251 -431 5 90 -389 215 -351 -1592 -136 -785 98 -129 23 338 94 1118 126 -307 -843 -734 -571 195 490 -366 -583 57 973 -434 519 -432 -725 -637 49 520 -240 1149 1061 391 470 655 -10 120 -77 -577 1884 666 175 297 845 550 847 945 -1223 483 41 492 -35 -183 -270 -1206 -683 -1112 -767 -1637 -803 -1575 -14 -314 -234 628 312 230 362 676 1521 783 -167 1488 -119 884 2 -852 -1003 -1050 -384 -32 -1057 -1617 -146 -410 117 -147 301 -413 -1123 218 442 1212 709 861 626 896 78 836 -666 -55 32 -220 824 1008 213 145 -126 -333 -211 -253 -814 -238 445 -143 166 -1057 437 138 SS 20240814T131721.9Z 8992.553725 88 1 61.14 2 68.07 81.87 171.46 174.39 0.00 1 0.00 1 0 17 1.124e-01 1.036e-02 8.296e-02 8.562e-03 3.175026e-01 4.581681e-03 3.493528e-03 -6.000000e+00 6.827807e-02 227.28 -2.00 3.11 -2.00 319.03 0.00e+00 9.296976e-04 1.103860e-03 9.017669e-04 -6.000000e+00 3.137733e-03 293.76 -2.00 20.00 -2.00 318.12 0.00e+00 2.654 0.000 302.00 328.00 3 6.8330e+00 1.2737e-02 2.9584e-02 -6.0000e+00 1.6861e-01 -9.9001e-03 1.4793e-02 1.5455e-02 -6.0000e+00 1.8174e-01 3.0504e-02 1.0096e-02 7.4699e-03 -6.0000e+00 1.0910e-01 -1.6246e-02 5.2646e-03 2.0470e-03 -6.0000e+00 4.7112e-02 3.0084e-05 3.2229e-04 2.8622e-04 2.7300e-05 -6.0000e+00 3.4767e-03 -7.9761e-03 1.2788e-04 12 9 8 11 8 0 99.93 20.94 1.03 -0.00798 -0.00555 26 26 1 5 0 2351.080 26.94 20.00 20.94 32.33 22.0 983.99 20143 62968 39683 2934 680 2499 77814 41349 5657 -33361 7045 -6067 9825 12667 -15079 4011 -3844 -15270 10989 -1928 15241 -5160 12907 3007 1118 736 -1934 -9512 4694 5839 -4276 8078 -5176 -1183 7954 -11792 1053 -7085 3682 -2694 1930 1583 -3795 -1911 421 3800 -2783 -3607 -4266 1435 -2857 2488 969 3674 4566 -3889 1926 719 268 2182 974 1503 2145 2124 -360 2418 -1979 -181 -256 2800 -324 1220 -444 102 1571 -1104 -2579 -2715 310 -1364 473 -1731 -1831 -759 -621 62 262 158 -941 -305 2027 -657 -131 -10 -45 27 2203 171 -757 -475 -411 -1865 52 -1099 -1686 -356 -681 1016 1032 520 712 600 794 681 127 78 39 -195 325 -87 -80 -347 -797 -9 641 45 -239 1028 480 -960 -204 -459 165 -263 -120 -411 -258 259 360 204 -256 235 644 1461 1164 115 26 91 1510 1268 265 -2356 350 -367 585 853 -1503 367 -403 -1881 1104 -227 1561 -649 1417 385 154 104 -278 -1414 594 745 -648 1197 -932 -207 1248 -2275 199 -1706 943 -832 620 537 -1394 -699 152 1325 -1025 -1328 -1589 523 -1153 1024 430 1668 2127 -2013 956 360 134 1077 509 841 1290 1335 -229 1425 -1163 -106 -163 1915 -244 933 -342 75 1058 -698 -1545 -1620 193 -965 366 -1490 -1679 -728 -633 66 293 180 -1074 -333 2028 -626 -118 -9 -44 29 2543 217 -1006 -616 -502 -2169 58 -1291 -2111 -463 -930 1434 1541 826 1172 991 1266 1027 182 108 55 -286 501 -140 -130 -557 -1251 -14 922 63 -327 1428 713 -1534 -338 -784 288 -482 -230 -822 -527 533 738 409 -500 445 SS 20240814T132317.2Z 8992.557838 91 1 59.03 2 66.68 82.26 171.23 166.23 0.00 1 0.00 1 0 17 2.658e-02 6.410e-03 2.152e-02 3.962e-03 3.031701e-01 2.111345e-03 3.238810e-03 -6.000000e+00 1.613490e-02 227.28 -2.00 3.11 -2.00 318.37 0.00e+00 3.092225e-04 4.219955e-04 4.251894e-04 -6.000000e+00 7.423721e-04 293.76 -2.00 20.00 -2.00 317.44 0.00e+00 2.506 0.000 302.00 328.00 3 6.1061e+00 5.7138e-03 2.7836e-02 -6.0000e+00 3.9843e-02 3.1084e-02 6.5291e-03 1.4126e-02 -6.0000e+00 4.2959e-02 1.2070e-02 4.1806e-03 6.8427e-03 -6.0000e+00 2.5787e-02 -1.2302e-02 2.1524e-03 1.9079e-03 -6.0000e+00 1.1125e-02 7.2181e-05 -2.2091e-04 1.2987e-04 2.4134e-05 -6.0000e+00 8.2263e-04 -5.0361e-03 -1.0767e-05 11 9 0 11 8 0 91.82 20.94 0.17 -0.00504 -0.00670 15 15 1 5 0 3935.260 26.94 20.00 20.94 32.48 22.0 984.09 38 10428 3796 -10482 -6357 276 -12039 -5786 8299 -13187 4493 -5981 1588 -3565 383 -158 -675 -498 1706 -3464 -847 4000 -1754 -673 1010 -3444 2075 217 3530 2111 -2754 -2849 1169 -2975 710 -1544 -3620 1638 1093 -2521 -1550 -963 691 -1418 2904 -1328 -423 -113 -927 846 372 29 560 143 1596 743 468 424 779 1236 1821 1651 1601 1371 576 473 -226 -42 565 364 764 140 373 127 -8 -581 -1020 -991 -1768 -205 -2284 -1904 -1321 -946 -888 41 -240 657 880 753 29 -128 -163 9 433 55 328 -182 -278 364 -716 -990 131 -794 -989 -616 -472 -344 404 870 425 212 84 -393 -415 154 916 467 580 323 -122 189 352 -187 247 -98 257 127 384 55 -765 78 -147 193 -294 167 680 -61 -108 -124 -298 -459 2 573 224 -668 -363 15 -777 -395 541 -1097 324 -510 143 -390 46 -21 -94 -73 253 -560 -136 621 -297 -120 187 -681 383 39 596 367 -537 -607 256 -680 153 -346 -917 464 364 -980 -645 -417 302 -639 1260 -597 -187 -49 -407 376 176 15 298 80 905 435 277 250 454 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