File name: Pandora141s1_Calakmul_20250820_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250821T060415.4Z 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 v1.8.75 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250820_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: 20250820 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 20250820T125052.6Z 9363.535331 156 1 7.74 2 74.48 82.02 42.15 72.20 0.00 1 0.00 1 0 17 1.338e-01 9.085e-03 1.130e-01 5.908e-03 4.432228e-01 3.211112e-03 4.969836e-03 -6.000000e+00 8.190175e-02 227.26 -2.00 3.11 -2.00 319.36 0.00e+00 1.054608e-03 8.974457e-04 1.873137e-03 -6.000000e+00 3.742755e-03 293.76 -2.00 20.00 -2.00 318.52 0.00e+00 3.669 0.000 302.00 328.00 3 3.9228e+00 9.0897e-03 4.1429e-02 -6.0000e+00 2.0230e-01 -2.2035e-03 1.0742e-02 2.3142e-02 -6.0000e+00 2.1745e-01 -4.0626e-04 8.0974e-03 1.0608e-02 -6.0000e+00 1.3056e-01 -6.2661e-03 4.2894e-03 2.8758e-03 -6.0000e+00 5.6923e-02 1.8265e-04 3.5712e-04 1.8713e-04 3.8336e-05 -6.0000e+00 4.1308e-03 -6.2457e-02 2.4569e-04 12 9 1 12 9 1 63.07 19.86 0.31 -0.06246 -0.05977 6 27 1 5 0 1104.810 26.00 19.97 19.86 30.26 40.3 982.28 12270 -1598 -29688 -34001 52123 -57466 88269 -41843 -16117 55433 -10786 -2894 -24640 10884 -22784 12604 -14680 -2254 5002 7053 -5020 -5498 7056 726 10690 3955 -2819 4729 2517 1662 -23633 2507 -3061 3769 -4773 87 -10845 -7621 -3196 -3679 1573 -1410 2276 -1546 3197 296 -2222 -798 -3312 1288 -1165 3576 1877 1789 -970 989 883 192 2553 1122 2069 580 3360 2098 2548 119 -947 3549 1257 2540 -402 1362 651 -323 1396 549 1531 -3851 -2239 -2792 230 -1209 -1395 -1155 -1113 -80 -378 273 -663 378 -707 -1005 41 -1421 -196 163 599 538 -202 -650 -510 -555 -481 67 -2219 -724 -829 -82 -63 1159 1302 993 239 -251 411 -39 446 384 462 282 22 508 -71 277 10 -167 196 583 1081 -205 -22 -356 -803 -453 -211 -315 520 -312 216 64 -208 -49 171 -29 -749 -882 564 -1704 694 -1271 -431 813 -311 -84 -1012 384 -1309 596 -989 -146 322 468 -386 -432 509 59 855 354 -272 417 222 151 -2964 279 -398 484 -658 12 -1700 -1346 -643 -862 391 -385 627 -451 905 87 -671 -240 -1036 401 -395 1259 721 729 -423 439 401 88 1137 504 948 287 1764 1189 1478 69 -538 1951 749 1641 -286 995 480 -233 941 346 900 -2328 -1408 -1953 174 -1013 -1248 -1083 -1095 -82 -404 297 -727 404 -727 -984 39 -1336 -192 173 692 672 -267 -862 -653 -672 -560 78 -2742 -925 -1100 -112 -91 1752 2058 1609 387 -395 621 -57 653 576 719 453 36 816 -112 427 15 -245 282 846 1643 -333 -38 -626 -1454 -846 -408 -628 1053 -642 443 129 -412 -95 SS 20250820T130830.8Z 9363.547579 166 1 27.81 2 70.34 83.26 38.27 72.12 0.00 1 0.00 1 0 17 2.950e-02 6.250e-03 2.064e-02 2.697e-03 3.557018e-01 1.453268e-03 3.803692e-03 -6.000000e+00 1.804147e-02 227.26 -2.00 3.11 -2.00 318.65 0.00e+00 7.448957e-04 3.191221e-04 1.840829e-04 -6.000000e+00 8.248654e-04 293.76 -2.00 20.00 -2.00 317.76 0.00e+00 2.938 0.000 302.00 328.00 3 4.4582e+00 3.9630e-03 3.2651e-02 -6.0000e+00 4.4561e-02 -5.6650e-03 4.5534e-03 1.6527e-02 -6.0000e+00 4.7911e-02 1.1034e-02 3.0844e-03 8.1211e-03 -6.0000e+00 2.8764e-02 -1.1124e-02 1.6252e-03 2.3399e-03 -6.0000e+00 1.2533e-02 2.3503e-04 -7.1660e-04 8.6957e-05 2.9341e-05 -6.0000e+00 9.1079e-04 -6.5398e-02 -6.9550e-05 12 1 1 12 1 1 98.41 19.85 0.18 -0.06540 -0.07078 20 23 1 5 0 1323.780 26.00 20.01 19.85 31.06 40.4 982.35 -1541 -11086 2500 -7387 -18922 -2517 1286 16114 -9788 -4711 -3741 -638 -1421 1697 5148 -2186 2104 -7278 -3437 -662 541 1707 -134 1254 -3704 -856 -1149 -625 1756 2816 637 1866 4033 -1058 354 -722 -1503 -436 -1596 -296 -2150 73 -1790 686 -1109 -460 1001 -302 -58 58 276 -436 631 -672 1065 -432 61 -1 257 1120 770 2168 884 1996 300 557 409 -520 2660 1057 1194 -324 30 -207 555 -47 -103 428 -945 510 -1402 -1663 -2316 -1687 -1321 -851 97 -383 263 232 655 385 1347 1426 547 810 409 108 -32 -49 -914 -546 -458 -147 -560 -641 -670 -717 43 410 221 -134 -179 -125 -22 1008 502 810 292 -255 -434 -218 215 44 386 -105 776 495 499 -53 -231 -225 -97 389 215 62 -203 120 -31 -295 -145 -360 -55 -490 102 -322 -860 -95 49 595 -514 -251 -205 -36 -91 124 421 -215 216 -863 -414 -81 68 214 -18 171 -564 -133 -179 -94 251 400 98 315 728 -208 68 -139 -312 -103 -450 -95 -770 27 -703 268 -444 -184 395 -120 -23 24 118 -201 307 -347 563 -238 34 0 142 615 435 1283 569 1346 208 375 264 -336 1770 777 941 -269 25 -168 425 -34 -69 278 -645 377 -1160 -1496 -2225 -1690 -1384 -933 110 -447 306 264 711 395 1305 1366 550 875 482 137 -42 -65 -1182 -668 -541 -175 -696 -833 -904 -1004 62 624 350 -216 -287 -193 -33 1428 711 1173 441 -401 -694 -346 335 67 570 -151 1082 698 732 -82 -376 -376 -165 681 391 117 -391 233 -61 -570 -273 -663 SS 20250820T131339.4Z 9363.551150 169 1 30.12 2 69.13 83.62 37.14 72.06 0.00 1 0.00 1 0 17 2.023e-02 5.494e-03 1.523e-02 2.239e-03 3.391533e-01 1.205952e-03 3.652385e-03 -6.000000e+00 1.237143e-02 227.26 -2.00 3.11 -2.00 318.55 0.00e+00 4.151271e-04 2.558564e-04 3.749770e-04 -6.000000e+00 5.655646e-04 293.76 -2.00 20.00 -2.00 317.65 0.00e+00 2.779 0.000 302.00 328.00 3 4.3373e+00 3.2753e-03 3.0972e-02 -6.0000e+00 3.0557e-02 -1.2926e-02 3.7509e-03 1.5846e-02 -6.0000e+00 3.2853e-02 1.1144e-02 2.4955e-03 7.7440e-03 -6.0000e+00 1.9724e-02 -9.3071e-03 1.3095e-03 2.1692e-03 -6.0000e+00 8.5943e-03 3.1616e-04 -3.8725e-04 7.2505e-05 2.7620e-05 -6.0000e+00 6.2446e-04 -6.3697e-02 1.6628e-05 11 1 0 11 8 0 99.26 19.86 0.20 -0.06370 -0.06661 40 40 1 5 0 752.680 26.00 20.00 19.86 31.38 40.3 982.47 -7377 1587 -3066 -3966 -8883 4524 -6569 5276 -3193 -8583 -4842 -4211 2421 -2211 580 -3401 2046 -2428 -146 491 -1110 2811 -1345 1559 1479 2081 -1849 -462 1169 -1057 3942 1040 2796 -3780 -1800 -3930 -2136 -1328 -118 -653 -2494 -508 -1612 -504 -52 -269 -129 -493 101 -487 920 114 1040 159 764 804 967 1138 -100 137 852 2055 1526 1981 273 -313 211 92 883 1280 924 29 806 -9 301 190 -537 -818 -705 -298 -1073 -1057 -1958 -1687 -1064 -742 -448 129 144 246 349 126 -63 544 393 882 293 343 -182 -59 -704 -815 -92 -131 -844 -972 -722 -281 509 694 443 296 -75 307 126 659 394 459 -25 -78 -270 -139 -111 73 190 83 563 346 470 266 -157 -414 -128 145 -314 60 -59 -44 131 -82 -129 -209 -323 71 -151 -191 -418 181 -306 245 -179 -539 -302 -276 167 -185 55 -372 230 -300 -19 65 -153 378 -193 229 232 338 -313 -75 180 -166 627 187 538 -801 -369 -816 -467 -332 -34 -219 -936 -199 -658 -208 -21 -112 -53 -203 41 -205 401 53 515 83 414 448 548 645 -57 77 492 1243 998 1361 193 -215 138 60 602 948 738 24 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