File name: Pandora141s1_Calakmul_20240807_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20260427T091024.6Z 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 v1.8.88 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20240807_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: 20240807 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 20240807T133435.4Z 8985.565688 90 1 12.46 2 63.80 80.68 99.33 81.46 0.00 1 0.00 1 0 17 2.214e-02 8.373e-03 2.202e-02 6.183e-03 2.791974e-01 3.296416e-03 3.009198e-03 -6.000000e+00 1.344531e-02 227.34 -2.00 3.11 -2.00 317.53 0.00e+00 -5.462865e-04 5.242473e-04 1.979408e-04 -6.000000e+00 6.184820e-04 293.75 -2.00 20.00 -2.00 316.61 0.00e+00 2.251 0.000 302.00 328.00 3 5.8640e+00 8.7196e-03 2.5170e-02 -6.0000e+00 3.3206e-02 2.3387e-02 9.8300e-03 1.2984e-02 -6.0000e+00 3.5800e-02 4.8430e-03 5.9524e-03 6.2897e-03 -6.0000e+00 2.1488e-02 -1.0388e-02 2.9716e-03 1.8919e-03 -6.0000e+00 9.2723e-03 1.2221e-04 -8.4326e-04 1.9975e-04 2.4361e-05 -6.0000e+00 6.8533e-04 -1.0009e-02 -1.5977e-04 12 9 1 12 9 1 63.39 21.03 0.17 -0.01001 -0.01635 3 19 1 5 0 3112.160 26.94 20.00 21.03 34.16 20.9 983.84 -1552 2737 2959 -9188 -320 -9834 -5245 -3037 -1158 4849 -6601 3458 -3912 4337 -5055 5574 -293 -3761 -512 -1403 3567 -3767 -646 2041 -2482 2354 -674 100 -1079 3471 4772 6778 3521 955 -3311 -911 776 -408 2111 -1211 -2753 -2202 -1158 -174 -887 75 883 -1223 -605 2039 37 710 -351 575 -7 106 815 588 872 1872 1765 38 1721 -59 -252 117 -1371 -464 424 1249 458 220 1361 561 523 228 591 76 412 -243 -2165 -1473 -1925 -1832 -1719 99 770 -1120 -956 143 314 1082 771 1199 267 536 984 74 -283 -538 2 -740 -31 -291 -1817 -57 -719 -679 1124 684 458 33 -164 -476 306 818 435 945 -362 -58 243 19 285 -19 -195 -409 870 669 -94 659 -766 -307 28 -184 775 144 398 -893 -634 111 607 -652 -143 260 282 -922 -28 -914 -503 -320 -131 538 -830 419 -568 664 -942 1019 -59 -818 -112 -319 790 -901 -155 506 -673 626 -181 26 -268 830 1194 1799 1016 283 -992 -272 250 -154 900 -593 -1461 -1208 -643 -97 -495 41 477 -663 -325 1096 21 428 -224 377 -5 73 564 406 596 1277 1247 29 1362 -49 -206 91 -1035 -350 339 1072 417 206 1252 502 442 180 438 56 318 -205 -2013 -1454 -1999 -1981 -1947 116 925 -1384 -1172 169 351 1137 775 1204 283 608 1196 96 -376 -705 3 -887 -36 -353 -2329 -74 -982 -958 1628 1034 711 52 -249 -692 423 1098 590 1320 -531 -87 369 29 421 -28 -273 -557 1154 904 -133 970 -1171 -476 44 -301 1301 250 701 -1602 -1134 195 1037 -1103 SS 20240807T134029.9Z 8985.569790 93 1 9.92 2 62.42 81.04 97.99 81.97 0.00 1 0.00 1 0 17 2.028e-02 8.768e-03 2.232e-02 6.992e-03 2.651377e-01 3.735960e-03 2.862001e-03 -6.000000e+00 1.231767e-02 227.34 -2.00 3.11 -2.00 317.28 0.00e+00 -3.349970e-04 5.570955e-04 2.029142e-04 -6.000000e+00 5.663376e-04 293.75 -2.00 20.00 -2.00 316.38 0.00e+00 2.148 0.000 302.00 328.00 3 5.9186e+00 9.8331e-03 2.3971e-02 -6.0000e+00 3.0422e-02 1.8084e-02 1.1048e-02 1.2269e-02 -6.0000e+00 3.2795e-02 1.1376e-02 6.6007e-03 5.9589e-03 -6.0000e+00 1.9685e-02 -1.0714e-02 3.2588e-03 1.7227e-03 -6.0000e+00 8.4955e-03 1.3028e-04 1.2496e-05 2.2581e-04 2.2872e-05 -6.0000e+00 6.2759e-04 -8.7390e-03 -4.0554e-05 12 9 1 12 1 1 999.00 21.03 0.61 -0.00874 -0.00865 2 18 1 5 0 3304.750 26.94 19.99 21.03 34.13 20.9 983.97 3817 -6185 787 -6513 -7716 -6124 -301 7916 951 4501 -3763 485 4156 -882 -1212 695 1608 -6151 1684 1594 463 1726 -508 1838 -1116 -1360 -478 1063 -3757 -2427 -2061 3712 -527 -3739 -1281 -2827 5579 1359 -1174 434 -1473 -398 -693 -840 -403 32 628 420 -447 624 -949 495 582 -492 285 1149 1267 -445 1120 2098 1402 3784 1562 1270 -1201 -1177 397 1372 1851 380 -94 -695 263 304 -776 929 456 221 -1595 373 -2058 -2138 -1697 -2199 -1396 -107 -84 -1153 263 1052 -121 1120 559 -51 -479 -443 2139 156 -469 613 -393 232 -1197 -644 -1421 -542 -1379 48 804 940 422 -447 17 590 79 215 713 606 194 120 -121 201 -26 155 -195 -171 274 434 1195 173 489 -62 249 178 -1 -352 -124 -625 -255 -695 109 129 387 -734 88 -731 -814 -629 -32 859 120 568 -521 68 630 -159 -244 148 355 -1513 400 390 116 433 -134 501 -327 -408 -140 293 -1041 -666 -595 1096 -170 -1242 -406 -922 1857 542 -549 222 -818 -227 -405 -494 -236 18 358 236 -253 356 -574 312 383 -338 200 815 905 -321 792 1482 1030 2883 1279 1071 -1016 -949 304 1049 1500 336 -88 -666 249 279 -676 745 346 166 -1277 320 -1943 -2150 -1781 -2410 -1593 -126 -102 -1436 322 1243 -137 1185 567 -52 -514 -509 2584 202 -623 794 -491 276 -1423 -785 -1818 -716 -1889 67 1164 1411 651 -691 26 844 108 286 957 841 281 180 -183 300 -39 222 -270 -230 361 582 1661 253 731 -95 387 285 -2 -601 -215 -1097 -445 -1200 184 214 SS 20240807T134601.2Z 8985.573625 96 1 59.87 2 61.13 81.37 96.74 82.44 0.00 1 0.00 1 0 17 1.003e-02 5.795e-03 5.484e-03 1.683e-03 2.524158e-01 8.967097e-04 2.735438e-03 -6.000000e+00 6.096156e-03 227.34 -2.00 3.11 -2.00 317.43 0.00e+00 3.427328e-04 1.383916e-04 2.803536e-04 -6.000000e+00 2.802595e-04 293.75 -2.00 20.00 -2.00 316.51 0.00e+00 2.061 0.000 302.00 328.00 3 5.1828e+00 2.3669e-03 2.2952e-02 -6.0000e+00 1.5056e-02 1.4929e-02 2.6640e-03 1.1667e-02 -6.0000e+00 1.6230e-02 1.0145e-02 1.5960e-03 5.6787e-03 -6.0000e+00 9.7422e-03 -9.7066e-03 7.8988e-04 1.5851e-03 -6.0000e+00 4.2045e-03 3.0133e-04 -1.3095e-04 5.4600e-05 2.1095e-05 -6.0000e+00 3.1057e-04 -7.7663e-03 8.3924e-06 11 1 0 11 8 0 99.99 21.03 0.15 -0.00777 -0.00875 74 74 1 5 0 808.960 26.94 20.00 21.03 34.28 20.8 984.04 -3418 -1311 -3197 -765 -2529 -2535 -1586 -2026 -514 -3048 -492 -1281 556 785 2 442 -179 148 1009 682 102 695 -315 487 860 146 -35 135 1191 648 2294 1044 133 -1494 -3142 -2237 -1974 227 -683 -437 -928 -835 -1003 -492 -557 -754 -628 -522 -195 200 785 647 1227 710 785 939 190 355 633 966 1370 2048 1470 952 441 -291 -235 336 1194 684 544 798 121 298 -271 -402 -915 -742 -803 -968 -1455 -2054 -1665 -1450 -685 -476 -88 -49 -75 505 -46 222 148 293 223 598 563 170 -105 -369 -594 -737 80 -335 -925 -938 -419 -24 614 667 427 259 32 308 292 520 540 362 200 -178 154 -149 83 165 159 -88 297 938 397 252 -698 -536 -212 -151 12 -41 70 80 91 -203 -167 -213 -367 -147 -367 -81 -251 -248 -164 -235 -64 -400 -64 -177 84 134 0 91 -39 33 233 163 25 170 -80 129 237 41 -10 36 301 165 607 300 41 -464 -962 -690 -667 87 -305 -217 -497 -464 -570 -281 -318 -428 -351 -287 -106 111 452 394 780 470 532 648 133 247 437 669 981 1546 1182 791 362 -228 -176 251 946 590 497 745 113 269 -231 -318 -680 -543 -620 -817 -1340 -2032 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