File name: Pandora141s1_Calakmul_20250706_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250707T061004.1Z 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 v1.8.75 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250706_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: 20250706 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 20250706T133220.7Z 9318.564128 167 1 4.97 2 62.82 73.54 166.47 246.25 0.00 1 0.00 1 0 17 2.442e-02 9.331e-03 2.443e-02 7.272e-03 2.697183e-01 3.909738e-03 2.908500e-03 -6.000000e+00 1.495917e-02 227.87 -2.00 3.11 -2.00 317.33 0.00e+00 8.725482e-04 5.878690e-04 3.755356e-04 -6.000000e+00 6.830471e-04 293.77 -2.00 20.00 -2.00 316.43 0.00e+00 2.177 0.000 302.00 328.00 3 5.3434e+00 1.0292e-02 2.4314e-02 -6.0000e+00 3.7000e-02 -1.5973e-02 1.1536e-02 1.2388e-02 -6.0000e+00 3.9779e-02 9.4936e-03 6.9337e-03 6.0449e-03 -6.0000e+00 2.3869e-02 -3.9761e-03 3.4593e-03 1.6997e-03 -6.0000e+00 1.0372e-02 2.2434e-04 9.5147e-05 2.3357e-04 2.1553e-05 -6.0000e+00 7.5429e-04 -5.3555e-02 6.8194e-05 12 9 9 12 1 1 999.00 19.83 0.17 -0.05355 -0.05284 2 18 1 5 0 1652.530 26.00 20.02 19.83 33.52 40.3 984.62 2267 -8210 4550 -5230 3741 7119 6879 3239 -4620 1362 -7972 4268 644 8786 -516 2884 -2485 1550 -1940 747 1178 850 -4974 2291 629 1739 -4522 1822 -4894 2184 4289 6017 1846 142 -4309 -6210 -5454 901 2268 -3162 -64 -3883 -667 -1248 418 -284 -1287 551 -406 1817 -1199 -708 419 1686 2182 1326 1125 1503 -78 1221 3169 1563 668 1725 -1060 -756 -150 -1087 1889 3514 -65 176 848 -585 -143 1259 -229 -953 -1275 -421 -1664 -2024 -1375 -817 -1007 210 -427 -442 927 362 -695 -144 -1192 -314 585 698 87 517 52 -1631 -329 460 -443 -340 -1142 -866 -695 273 -85 671 915 71 94 -6 354 374 1520 279 328 238 -731 208 264 680 525 491 613 332 -396 210 -600 -1108 -254 -355 179 -78 -75 484 101 205 -204 -597 219 -956 484 -585 356 632 638 343 -578 169 -1096 545 94 1353 -97 577 -551 346 -463 180 289 210 -1319 596 174 491 -1344 495 -1355 563 1133 1686 571 45 -1402 -2043 -1900 339 970 -1586 -34 -2208 -380 -723 240 -164 -741 308 -227 1011 -709 -439 270 1118 1480 924 795 1058 -55 857 2247 1178 538 1431 -899 -615 -116 -838 1491 2954 -59 166 798 -543 -126 1033 -178 -725 -1002 -355 -1532 -1998 -1419 -873 -1126 243 -514 -544 1130 435 -803 -157 -1244 -322 615 780 105 657 69 -2172 -420 558 -527 -411 -1444 -1137 -941 379 -122 1000 1399 110 143 -8 495 506 2037 386 472 355 -1113 314 393 985 740 671 819 447 -554 305 -906 -1710 -396 -570 295 -133 -130 847 178 357 -349 -1003 SS 20250706T133618.2Z 9318.566878 170 1 30.66 2 61.92 73.71 167.28 244.93 0.00 1 0.00 1 0 17 8.363e-02 1.386e-02 5.679e-02 1.144e-02 2.709509e-01 6.126862e-03 2.939454e-03 -6.000000e+00 5.125906e-02 227.87 -2.00 3.11 -2.00 318.22 0.00e+00 2.072457e-03 1.154770e-03 4.136950e-04 -6.000000e+00 2.338361e-03 293.77 -2.00 20.00 -2.00 317.31 0.00e+00 2.114 0.000 302.00 328.00 3 7.1907e+00 1.6479e-02 2.3883e-02 -6.0000e+00 1.2679e-01 4.0224e-02 1.8693e-02 1.2527e-02 -6.0000e+00 1.3627e-01 -7.5077e-03 1.1639e-02 6.3105e-03 -6.0000e+00 8.1776e-02 4.0674e-04 5.9662e-03 2.2788e-03 -6.0000e+00 3.5569e-02 3.6433e-05 1.2993e-03 3.7672e-04 2.7060e-05 -6.0000e+00 2.5822e-03 -5.6013e-02 2.3894e-04 12 9 8 11 8 0 99.98 19.83 0.84 -0.05601 -0.04625 19 19 1 5 0 1613.500 26.00 20.00 19.83 33.64 40.2 984.72 4210 -3318 -15979 6783 -32873 76597 -6916 11167 11231 -6882 12819 10565 -1759 -5421 15293 -3607 2299 588 11478 -2879 4852 11463 -10407 3256 -3221 8446 -3949 -9516 6800 540 6313 -4575 -5258 -2986 -8147 -6191 4379 -5776 -1533 7543 1808 -3210 -2512 2446 973 -144 -3037 135 5696 -2241 -629 -826 4048 -3194 2672 237 478 -810 302 3712 -2336 2919 -432 5525 -1397 690 -180 1337 2885 377 2708 -1681 2456 -1480 -1175 2472 -2898 -1809 -248 3067 -92 -2188 -2343 -44 -3094 -257 -368 -73 -662 1061 1822 -525 -617 1545 -1017 1661 -969 117 225 355 -807 -647 -1765 151 715 -2670 -658 -787 1158 -320 887 117 793 315 -795 416 -690 1788 -289 1775 -763 -412 58 -265 444 440 2259 -250 665 -563 48 810 -372 -401 -240 164 -843 316 -22 408 83 -897 296 -274 -1530 504 -3258 2628 -532 797 876 -663 1043 911 -189 -691 1825 -565 362 98 1798 -534 855 1906 -2155 618 -681 1646 -861 -2103 1238 103 1202 -1047 -1299 -739 -2058 -1523 1044 -1748 -522 2695 745 -1462 -1173 1107 448 -67 -1438 61 2423 -1039 -300 -420 2086 -1842 1504 139 284 -487 178 2123 -1461 1851 -304 3876 -1047 482 -119 861 1937 285 2168 -1459 2058 -1245 -925 1726 -1956 -1167 -164 2173 -75 -1975 -2260 -43 -3356 -288 -434 -89 -803 1232 1975 -539 -590 1422 -1001 1739 -1142 148 299 469 -1025 -768 -2045 176 876 -3562 -901 -1127 1711 -506 1443 194 1270 479 -1144 566 -945 2479 -431 2727 -1226 -657 89 -398 636 604 2957 -337 933 -848 75 1296 -616 -689 -431 306 -1629 615 -43 781 154 -1643 SS 20250706T135959.6Z 9318.583329 185 1 22.20 2 56.52 74.69 171.83 231.06 0.00 1 0.00 1 0 17 9.186e-03 6.489e-03 2.677e-03 1.173e-03 2.331877e-01 6.330826e-04 2.560198e-03 -6.000000e+00 5.624151e-03 227.87 -2.00 3.11 -2.00 316.48 0.00e+00 3.607690e-04 7.721902e-05 2.667975e-04 -6.000000e+00 2.569049e-04 293.77 -2.00 20.00 -2.00 315.62 0.00e+00 1.807 0.000 302.00 328.00 3 4.0536e+00 1.6436e-03 2.0421e-02 -6.0000e+00 1.3911e-02 3.1441e-03 1.8289e-03 1.0718e-02 -6.0000e+00 1.4957e-02 -2.7449e-03 1.0645e-03 5.2273e-03 -6.0000e+00 8.9748e-03 -1.3451e-03 5.0780e-04 1.4715e-03 -6.0000e+00 3.8984e-03 1.2243e-03 -6.9109e-05 3.7425e-05 2.0819e-05 -6.0000e+00 2.8371e-04 -5.1490e-02 5.9869e-05 12 9 1 12 1 1 99.96 19.83 0.14 -0.05149 -0.05201 56 77 1 5 0 389.450 26.00 20.02 19.83 33.67 40.2 984.78 -145 822 -912 -1869 -2393 -1232 915 285 2226 -2067 -1637 -2015 276 189 -127 379 -683 733 209 478 75 517 866 1326 1034 328 419 -385 648 -18 879 1224 54 -1631 -2639 -1970 -2585 -651 -872 -622 -1269 -750 -419 -509 25 -546 -472 -964 -529 -270 299 759 973 1350 1319 1168 760 427 367 352 1206 1454 2124 1187 667 -170 -132 121 913 1160 793 434 426 399 -36 -225 -1229 -1577 -1640 -1291 -1481 -1863 -1663 -1414 -675 -364 35 310 86 374 -175 -576 -992 -436 -311 420 625 506 -40 -302 -486 -798 -1 -106 -828 -634 -513 101 609 1086 815 859 523 300 28 279 344 264 206 -159 62 52 105 125 196 -81 253 266 91 22 -442 -412 -476 -242 -132 -214 177 97 129 -5 -16 -259 -24 143 -164 -323 -384 -187 142 49 409 -411 -327 -414 60 46 -34 110 -210 229 67 158 25 175 297 470 383 125 159 -142 226 -6 310 457 21 -667 -1060 -782 -1092 -305 -465 -368 -806 -493 -280 -344 17 -368 -314 -633 -342 -175 199 527 702 1003 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