File name: Pandora141s1_Calakmul_20241222_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241223T060522.6Z 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_20241222_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: 20241222 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 20241222T133156.1Z 9122.563844 289 1 5.96 2 77.01 120.55 32.46 240.78 0.00 1 0.00 1 0 17 1.135e-01 7.885e-03 8.452e-02 4.782e-03 4.708266e-01 2.586403e-03 5.112927e-03 -6.000000e+00 6.885655e-02 224.85 -2.00 3.11 -2.00 319.56 0.00e+00 2.240505e-03 7.759394e-04 1.557126e-03 -6.000000e+00 3.137084e-03 290.96 -2.00 20.00 -2.00 318.80 0.00e+00 4.331 0.000 302.00 328.00 3 2.7813e+00 7.3769e-03 4.7107e-02 -6.0000e+00 1.6931e-01 3.6410e-03 8.8251e-03 2.2834e-02 -6.0000e+00 1.8233e-01 -3.7240e-03 7.0281e-03 1.1692e-02 -6.0000e+00 1.0948e-01 -3.7404e-03 3.7037e-03 3.5794e-03 -6.0000e+00 4.7872e-02 3.0071e-04 4.7256e-04 1.4961e-04 5.1411e-05 -6.0000e+00 3.4990e-03 -6.6342e-02 3.1687e-04 12 9 1 12 1 1 36.30 19.96 0.21 -0.06634 -0.06279 11 121 1 5 0 495.700 26.11 19.99 19.96 24.36 33.5 990.52 -42790 -38950 -49922 4080 -72660 -55162 3870 -23720 9208 -25992 17610 -1262 20773 -6276 14819 -3744 6202 -5111 3513 9987 -823 -1103 -5418 9749 -7579 7757 -5334 -3525 -11305 -2968 2782 -5861 5903 769 -437 -5209 -1082 448 -2691 -2656 -2517 -954 1837 251 -593 -941 331 626 -961 -108 -852 1672 1504 -522 2064 2469 486 -48 -1320 2508 104 2259 1855 3115 2282 -287 -1409 81 1041 1225 1611 996 995 438 124 -182 -3336 -2286 -2198 -1765 -1839 -1037 -2080 -778 -1250 723 68 1045 727 360 488 -957 -2058 -1308 -547 717 396 661 -8 45 -845 -725 -866 43 -741 -164 -487 -478 558 659 1099 855 897 903 -218 95 -363 354 77 -148 -295 188 -62 112 115 -444 247 607 46 46 -387 -817 -724 122 -872 391 31 138 666 -75 277 -350 -752 -764 -1166 57 -1975 -1237 52 -466 149 -630 300 -28 436 -206 480 -167 281 -279 189 534 -50 -69 -364 606 -593 555 -438 -280 -954 -239 234 -607 614 89 -51 -634 -136 64 -470 -539 -569 -228 449 64 -155 -250 88 168 -267 -31 -263 549 533 -200 811 1001 205 -21 -562 1033 45 1022 919 1640 1250 -158 -764 44 592 763 1078 697 700 301 81 -111 -1960 -1316 -1335 -1186 -1375 -843 -1820 -708 -1198 716 70 1100 769 375 487 -918 -1911 -1211 -531 750 453 817 -10 60 -1080 -876 -1007 50 -898 -207 -639 -653 795 993 1732 1385 1448 1420 -333 140 -539 535 121 -239 -483 304 -98 174 175 -658 359 891 71 75 -671 -1466 -1334 231 -1721 790 65 287 1389 -155 557 -687 SS 20241222T134204.8Z 9122.570889 292 1 59.67 2 74.95 121.66 34.58 243.20 0.00 1 0.00 1 0 25 3.017e-02 4.836e-03 3.640e-03 2.979e-04 4.169934e-01 1.601200e-04 4.437107e-03 -6.000000e+00 1.830330e-02 224.85 -2.00 3.11 -2.00 319.19 0.00e+00 8.897111e-04 4.240944e-05 5.471948e-04 -6.000000e+00 8.339346e-04 290.96 -2.00 20.00 -2.00 318.40 0.00e+00 3.776 0.000 302.00 328.00 3 1.7048e-01 4.4437e-04 4.0969e-02 -6.0000e+00 4.5005e-02 -1.2646e-02 5.2070e-04 1.9339e-02 -6.0000e+00 4.8474e-02 9.2579e-03 3.8912e-04 9.6496e-03 -6.0000e+00 2.9107e-02 -1.0424e-02 2.0689e-04 2.8403e-03 -6.0000e+00 1.2721e-02 7.3417e-03 -2.0174e-05 9.4872e-06 3.5907e-05 -6.0000e+00 9.3058e-04 -6.5860e-02 2.0590e-04 10 0 0 10 0 0 4.09 19.96 0.16 -0.06586 -0.06601 2424 2424 1 5 0 24.580 26.11 20.00 19.96 25.42 33.5 990.61 -6232 -11001 -5912 -10001 -11343 -11063 -11904 -8681 -9806 -7936 -10282 -7359 -6538 -2931 -1993 -1337 13 -766 169 -384 152 -657 65 335 -183 -528 -1474 -1625 -2102 -900 -595 1086 485 -964 -2854 -3639 -2685 -1540 -355 -605 -858 -850 -838 -382 -450 -208 -592 -538 -519 -63 293 645 1087 676 721 670 741 100 218 387 962 1579 1996 1669 956 581 -93 205 1003 1173 760 531 565 297 165 -255 -746 -1044 -1017 -949 -1160 -1509 -1755 -1617 -1141 -549 -112 351 337 508 571 328 113 199 181 367 493 431 100 -119 -553 -875 -388 -248 -688 -809 -791 -373 204 645 556 361 230 3 125 275 397 451 166 -174 -201 -103 -70 95 83 -4 270 455 375 250 -96 -365 -280 -5 -163 -100 136 92 50 -65 -58 -193 -133 -258 -140 -266 -287 -269 -307 -244 -314 -245 -340 -254 -259 -135 -108 -83 1 -56 13 -31 13 -56 6 31 -18 -56 -161 -173 -219 -94 -67 136 68 -145 -433 -553 -435 -288 -79 -146 -233 -248 -255 -119 -142 -66 -189 -172 -168 -21 105 250 454 303 339 302 342 47 100 192 451 791 1094 993 591 351 -54 119 618 808 536 394 422 215 120 -169 -459 -628 -648 -683 -886 -1294 -1642 -1504 -1126 -576 -124 398 383 558 591 316 110 192 173 392 554 539 135 -162 -717 -1050 -467 -300 -831 -1041 -1073 -501 292 995 868 584 368 5 190 397 568 669 261 -273 -320 -161 -113 148 124 -5 398 677 565 411 -160 -640 -510 -10 -312 -202 267 184 99 -128 -116 -368 SS 20241222T135215.5Z 9122.577957 295 1 59.62 2 72.91 122.85 36.74 245.38 0.00 1 0.00 1 0 25 1.759e-02 5.082e-03 1.835e-03 2.246e-04 3.726834e-01 1.200054e-04 3.998750e-03 -6.000000e+00 1.067218e-02 224.85 -2.00 3.11 -2.00 318.63 0.00e+00 6.742807e-04 2.638611e-05 4.257636e-04 -6.000000e+00 4.862398e-04 290.96 -2.00 20.00 -2.00 317.80 0.00e+00 3.352 0.000 302.00 328.00 3 1.0836e-01 3.2541e-04 3.6409e-02 -6.0000e+00 2.6241e-02 -1.3826e-02 3.7365e-04 1.7205e-02 -6.0000e+00 2.8264e-02 9.0882e-03 2.5747e-04 8.5229e-03 -6.0000e+00 1.6971e-02 -9.3479e-03 1.3673e-04 2.4675e-03 -6.0000e+00 7.4176e-03 1.2239e-02 1.6546e-05 7.1817e-06 3.0535e-05 -6.0000e+00 5.4258e-04 -6.6089e-02 2.0611e-04 10 0 0 10 0 0 4.05 19.96 0.16 -0.06609 -0.06596 3150 3150 1 5 0 18.880 26.11 20.02 19.96 27.18 33.4 990.78 -4107 -2545 -3503 -4994 -7005 -8121 -6626 -4709 -3857 -4668 -4910 -4645 -3587 -2164 -1480 -900 -259 -276 219 385 35 -69 56 310 111 -229 -417 -1221 -932 -690 129 1175 812 -828 -2309 -2653 -2770 -1320 -891 -935 -1012 -864 -520 -422 -256 -247 -357 -445 -365 -123 269 764 984 787 670 837 711 296 277 416 1038 1561 2021 1613 994 327 -139 158 931 1138 700 500 501 291 168 -128 -780 -892 -884 -870 -1276 -1581 -1822 -1653 -1107 -559 -156 286 281 394 458 317 15 272 186 402 487 387 79 -220 -636 -894 -385 -213 -686 -806 -837 -352 146 644 566 397 208 46 110 315 444 467 208 -137 -132 -130 -55 122 164 49 305 503 409 281 -92 -308 -230 30 -148 -77 112 69 -5 -136 -102 -263 -135 -94 -137 -194 -258 -291 -244 -191 -174 -228 -250 -250 -218 -153 -123 -84 -26 -30 25 46 4 -9 7 42 16 -35 -65 -185 -136 -101 20 201 154 -167 -466 -533 -597 -299 -242 -297 -360 -329 -206 -170 -104 -101 -146 -181 -149 -51 119 338 467 398 355 458 399 167 155 231 589 945 1236 1066 677 217 -88 99 616 839 568 399 403 242 131 -91 -514 -612 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