File name: Pandora141s1_Calakmul_20241006_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241007T055406.7Z 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_20241006_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: 20241006 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 20241006T124931.6Z 9045.534393 65 1 31.51 2 76.74 100.48 118.08 106.56 0.00 1 0.00 1 0 25 1.403e-01 7.706e-03 1.715e-01 5.732e-03 4.796500e-01 3.156387e-03 5.090781e-03 -6.000000e+00 8.581365e-02 227.08 -2.00 3.11 -2.00 319.99 0.00e+00 1.180121e-03 1.068522e-03 8.965832e-04 -6.000000e+00 3.915396e-03 293.25 -2.00 20.00 -2.00 319.21 0.00e+00 4.249 0.000 302.00 328.00 3 4.4272e+00 9.3567e-03 4.6510e-02 -6.0000e+00 2.1191e-01 3.6459e-02 1.1480e-02 2.2835e-02 -6.0000e+00 2.2782e-01 -1.0810e-02 9.3795e-03 1.1425e-02 -6.0000e+00 1.3676e-01 -2.1372e-03 4.8617e-03 3.3135e-03 -6.0000e+00 5.9630e-02 6.0876e-05 -3.8985e-04 1.8265e-04 4.4792e-05 -6.0000e+00 4.3303e-03 -6.5703e-02 1.5977e-04 12 9 1 12 9 1 99.63 19.90 0.19 -0.06570 -0.06863 12 25 1 5 0 2423.450 26.00 20.00 19.90 31.99 28.9 981.71 -37990 32365 93714 -39047 -23611 60151 -46962 -41897 10062 -19343 -8231 -32637 13812 11432 5663 -27145 -4795 13203 -7534 -23084 -24099 15061 11479 3396 -13637 -12354 -12309 4775 -13300 -8081 2334 -2222 -6367 4066 -7607 -1927 2033 95 5333 1225 -3696 2028 1916 1428 -217 -6706 -3001 -2212 -4815 4002 4135 1443 3658 3107 -22 373 1231 318 -2630 893 0 2759 4977 1076 419 -523 1919 732 254 4797 2505 -138 2214 -337 -1270 -465 33 -1310 -1687 -32 -1884 -1315 -1142 -2857 -1768 314 -5 868 411 119 752 -240 800 175 -448 629 404 10 181 -515 -1078 -803 -613 164 -1019 -555 -968 -606 404 -167 210 570 451 794 451 -648 322 84 -99 31 -257 -76 334 674 320 -121 90 670 87 244 491 -339 -111 57 -236 -307 38 -48 342 -87 187 -683 -498 253 524 -635 -315 355 -800 -765 127 -348 -141 -764 245 250 157 -1183 -188 475 -352 -1317 -1441 636 518 177 -899 -849 -860 279 -908 -539 155 -176 -589 362 -753 -181 197 11 700 196 -694 389 386 297 -46 -1544 -674 -500 -1142 913 1013 395 1065 972 -8 131 440 115 -969 317 0 1063 2066 500 203 -252 878 341 127 2563 1486 -88 1386 -209 -745 -250 16 -653 -896 -19 -1272 -979 -917 -2460 -1595 294 -5 871 414 118 705 -214 674 149 -406 623 444 12 232 -668 -1352 -942 -685 183 -1197 -683 -1249 -817 572 -254 338 940 742 1265 691 -967 476 128 -157 51 -428 -125 536 1050 485 -179 130 978 136 407 864 -625 -211 113 -485 -654 83 -106 755 -190 395 -1402 SS 20241006T125509.0Z 9045.538299 68 1 11.63 2 75.43 100.99 116.86 106.82 0.00 1 0.00 1 0 25 1.007e-01 7.717e-03 8.805e-02 5.150e-03 4.364072e-01 2.798491e-03 4.690566e-03 -6.000000e+00 6.154149e-02 227.08 -2.00 3.11 -2.00 319.34 0.00e+00 1.864031e-03 7.731779e-04 7.718805e-04 -6.000000e+00 2.808982e-03 293.25 -2.00 20.00 -2.00 318.51 0.00e+00 3.891 0.000 302.00 328.00 3 3.8937e+00 7.8828e-03 4.2516e-02 -6.0000e+00 1.5197e-01 2.1769e-02 9.3046e-03 2.0606e-02 -6.0000e+00 1.6342e-01 8.2580e-03 7.0217e-03 1.0302e-02 -6.0000e+00 9.8097e-02 -1.1769e-02 3.7211e-03 3.0775e-03 -6.0000e+00 4.2738e-02 1.5210e-04 -1.0945e-03 1.6301e-04 4.0378e-05 -6.0000e+00 3.1080e-03 -6.3585e-02 4.5766e-05 12 9 1 12 1 1 99.48 19.90 0.21 -0.06359 -0.07181 8 46 1 5 0 1291.580 26.00 19.98 19.90 32.34 28.9 981.77 -31792 69967 8741 -14185 -37267 44952 -21081 -16361 -7114 -11094 -3808 -12564 31341 -23725 11219 -16162 7431 -9242 -5819 -1420 -10075 7067 -11275 11322 -7963 4744 -3085 -992 2797 -3535 -2634 -2546 4297 -1133 -2655 -13657 -1697 -3853 -2046 3132 -2045 1453 -520 -298 -3238 295 1775 1381 2120 -3227 942 98 3069 1383 1558 1795 -445 1674 -1129 2333 -651 1978 1540 2297 1280 1305 799 -450 2629 1064 901 378 1088 -141 739 -726 -1845 -599 -3969 -1359 -1344 -1240 -2620 -1436 -401 -1019 -363 139 1018 88 131 1010 -334 128 -55 396 423 714 -132 297 -887 -1024 -636 -651 -392 -1132 -742 -50 840 403 767 473 -3 114 385 515 -193 279 462 -234 -244 28 714 -238 -261 -392 866 441 412 -206 -224 30 -448 211 -341 485 337 -705 -27 -94 -172 102 -688 670 159 -316 -971 527 -481 -399 -178 -310 -104 -402 772 -1173 476 -1017 414 -649 -422 -104 -828 503 -981 848 -764 425 -301 -93 249 -341 -275 -300 528 -154 -365 -2072 -247 -662 -409 694 -528 389 -148 -87 -981 88 524 412 640 -1057 317 36 1177 570 670 796 -206 763 -522 1045 -307 973 826 1310 757 757 451 -257 1553 698 638 280 805 -103 505 -467 -1123 -354 -2535 -940 -1033 -1041 -2371 -1352 -393 -1053 -389 152 1109 94 135 980 -313 119 -54 419 489 889 -174 393 -1143 -1249 -743 -765 -479 -1450 -984 -68 1204 612 1216 769 -4 179 582 754 -283 418 717 -376 -398 45 1125 -369 -394 -577 1237 639 626 -334 -381 53 -806 390 -657 959 680 -1451 -56 -191 -340 196 SS 20241006T130602.5Z 9045.545862 71 1 60.44 2 72.90 102.01 114.49 107.35 0.00 1 0.00 1 0 17 4.104e-02 5.976e-03 3.718e-02 3.452e-03 3.847195e-01 1.869031e-03 4.146308e-03 -6.000000e+00 2.509303e-02 227.08 -2.00 3.11 -2.00 319.15 0.00e+00 2.538330e-04 4.771092e-04 7.540194e-04 -6.000000e+00 1.145162e-03 293.25 -2.00 20.00 -2.00 318.30 0.00e+00 3.349 0.000 302.00 328.00 3 5.0286e+00 5.2062e-03 3.6863e-02 -6.0000e+00 6.1965e-02 5.1886e-02 6.0859e-03 1.8474e-02 -6.0000e+00 6.6629e-02 5.4210e-03 4.3740e-03 8.8488e-03 -6.0000e+00 3.9996e-02 -9.3943e-03 2.3100e-03 2.5336e-03 -6.0000e+00 1.7429e-02 8.4839e-05 -8.4979e-04 1.1191e-04 3.1402e-05 -6.0000e+00 1.2670e-03 -6.4709e-02 5.5559e-05 11 1 0 11 8 0 99.94 19.90 0.20 -0.06471 -0.07109 24 24 1 5 0 2517.830 26.00 20.00 19.90 33.01 28.8 982.03 -12959 -20651 14268 -18953 -1655 -4570 5680 15322 557 5013 -12783 3319 -9079 -1844 3231 -9375 4123 4626 6773 -1051 -6905 1774 -8968 650 8 3836 -6697 -1651 -1012 5464 -4921 369 1241 -2325 1210 -3312 -2937 -2559 -2137 -2094 -676 1008 -640 622 -40 824 -536 -2254 504 189 479 1702 981 -105 2733 -293 558 -375 -493 335 194 2071 2132 1183 688 256 -592 -59 1125 1558 469 775 301 774 837 192 -633 -1670 -602 -308 -915 -1052 -2007 -1726 -1046 -380 -179 399 184 307 745 448 221 -903 27 284 981 152 -219 1 -1117 -916 -136 -508 -965 -1227 -474 -86 568 663 356 98 361 -108 272 664 360 660 354 85 -177 301 90 -315 178 -108 68 397 710 -338 -181 -365 -462 -296 -163 119 200 290 70 -218 -42 -165 -357 -692 363 -646 -45 -123 146 403 19 174 -546 129 -452 -101 197 -728 307 365 554 -97 -695 167 -961 68 1 435 -846 -193 -114 583 -620 49 180 -366 182 -517 -489 -493 -486 -554 -196 307 -206 202 -13 270 -178 -760 167 65 173 654 407 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