File name: Pandora141s1_Calakmul_20250630_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250701T060620.3Z 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_20250630_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: 20250630 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 20250630T133746.8Z 9312.567903 120 1 30.36 2 61.26 73.25 126.39 66.51 0.00 1 0.00 1 0 17 1.897e-02 6.822e-03 1.444e-02 4.149e-03 2.474536e-01 2.225825e-03 2.678651e-03 -6.000000e+00 1.161834e-02 228.09 -2.00 3.11 -2.00 317.56 0.00e+00 8.835371e-04 3.530400e-04 2.259820e-04 -6.000000e+00 5.305811e-04 293.79 -2.00 20.00 -2.00 316.65 0.00e+00 2.070 0.000 302.00 328.00 3 6.1301e+00 5.8876e-03 2.2950e-02 -6.0000e+00 2.8751e-02 1.2803e-02 6.6182e-03 1.1476e-02 -6.0000e+00 3.0913e-02 1.6320e-02 3.9991e-03 5.6135e-03 -6.0000e+00 1.8545e-02 -9.9935e-03 2.0025e-03 1.6136e-03 -6.0000e+00 8.0493e-03 1.1574e-04 -5.1506e-04 1.3460e-04 2.0546e-05 -6.0000e+00 5.8607e-04 -5.1978e-02 -6.7690e-05 11 8 0 10 0 0 99.99 19.87 0.26 -0.05198 -0.05585 12 12 1 5 0 2529.630 26.00 20.01 19.87 33.02 41.2 984.19 -3407 -3708 680 1293 -3111 -1348 -9998 8617 -4583 -5698 2461 -1696 -3476 3141 6269 -2711 261 -3426 -813 -557 1764 1436 2544 298 2184 -99 -515 65 561 2707 1358 723 1723 18 -2369 -3892 -4168 -726 -300 -1225 -1479 14 -1737 -547 -106 -172 -61 -20 -236 -895 1635 1042 423 857 2017 -91 1485 569 -48 1087 1134 1449 2092 730 471 -901 -357 53 1028 798 1009 74 594 384 -839 -371 -626 -524 -719 -1653 -190 -777 -2067 -1874 -1200 -798 -776 314 323 148 198 -137 -72 511 520 374 549 571 -382 -108 -957 -186 161 182 -699 -566 -766 -454 924 655 198 335 148 301 -344 726 571 741 458 336 -727 -329 -176 227 573 -139 1120 332 -32 -363 -691 -152 -111 -69 -136 -36 462 -411 73 -114 71 -209 -335 -398 72 130 -299 -122 -1027 822 -544 -716 290 -215 -494 477 1043 -536 53 -748 -179 -127 402 330 589 74 557 -26 -138 17 137 637 337 194 490 5 -693 -1147 -1320 -256 -123 -575 -755 7 -959 -302 -59 -95 -33 -11 -125 -480 892 605 260 547 1311 -62 1003 387 -32 731 785 1058 1622 596 386 -710 -265 38 780 661 894 69 550 346 -723 -295 -462 -374 -531 -1340 -166 -740 -2104 -1991 -1336 -932 -945 389 400 179 226 -147 -72 504 531 411 652 726 -510 -143 -1224 -224 188 217 -881 -746 -1049 -642 1346 999 312 532 230 444 -483 973 764 1020 661 506 -1128 -507 -266 333 809 -190 1477 442 -44 -530 -1050 -235 -174 -112 -230 -63 821 -745 133 -204 124 -359 SS 20250630T134258.0Z 9312.571504 123 1 30.53 2 60.08 73.47 125.31 67.26 0.00 1 0.00 1 0 17 2.031e-02 7.068e-03 1.489e-02 4.460e-03 2.446936e-01 2.392370e-03 2.665768e-03 -6.000000e+00 1.243938e-02 228.09 -2.00 3.11 -2.00 317.53 0.00e+00 1.703987e-05 3.748684e-04 2.892115e-04 -6.000000e+00 5.680180e-04 293.79 -2.00 20.00 -2.00 316.61 0.00e+00 1.996 0.000 302.00 328.00 3 6.2545e+00 6.3244e-03 2.2301e-02 -6.0000e+00 3.0783e-02 1.9188e-02 7.1097e-03 1.1439e-02 -6.0000e+00 3.3096e-02 5.5456e-03 4.2787e-03 5.5332e-03 -6.0000e+00 1.9855e-02 -5.6933e-03 2.1308e-03 1.5918e-03 -6.0000e+00 8.6189e-03 1.1042e-04 -4.2947e-04 1.4494e-04 2.0861e-05 -6.0000e+00 6.2737e-04 -5.2241e-02 -4.6379e-05 11 9 0 11 8 0 99.86 19.87 0.16 -0.05224 -0.05547 16 16 1 5 0 1907.590 26.11 20.00 19.87 33.18 41.2 984.30 -3113 3643 -8702 -5922 -2939 -5235 -1921 -1346 6470 -7620 1035 -9429 -1578 4037 770 -1113 49 3649 62 1278 2355 386 -912 1888 2658 -485 2566 -2606 2854 -1788 1856 3282 2440 2151 -2796 -64 -3849 -1052 -1458 -577 -1199 -1631 -156 -563 -534 -332 -1503 154 -1142 -1452 -516 818 817 1508 400 2019 -94 1795 -79 827 1310 910 1969 1040 980 429 -467 79 1305 468 -96 195 -56 252 190 1034 -1233 -217 -162 -959 -701 -1720 -2020 -1552 -958 -1140 128 -47 205 454 -196 0 -167 738 925 808 799 175 83 -381 -1079 -836 349 -275 -411 -1188 -1108 -91 349 620 393 188 -8 169 -475 359 1091 509 150 362 199 -215 -231 451 740 8 597 355 9 275 -799 -175 8 82 7 -357 444 -148 85 -346 -47 -357 -321 383 -1051 -664 -295 -515 -191 -148 728 -1026 130 -1349 -230 631 139 -223 10 764 14 292 545 92 -223 471 694 -134 687 -700 695 -446 465 870 694 625 -826 -18 -1223 -375 -610 -272 -618 -885 -86 -314 -298 -184 -830 82 -609 -782 -286 475 500 957 263 1342 -64 1210 -54 558 904 666 1525 846 797 333 -344 57 982 387 -86 180 -52 227 162 809 -910 -153 -118 -767 -614 -1642 -2047 -1641 -1063 -1335 154 -58 254 547 -225 0 -168 721 935 879 943 223 111 -505 -1378 -1008 405 -328 -516 -1571 -1522 -129 512 948 621 300 -12 251 -668 481 1449 700 217 546 306 -332 -350 659 1043 11 788 471 13 399 -1213 -270 13 133 12 -626 791 -270 155 -623 -82 -615 SS 20250630T143038.6Z 9312.604613 151 1 31.34 2 49.20 75.11 115.15 73.27 0.00 1 0.00 1 0 25 1.076e-02 7.239e-03 7.318e-03 3.511e-03 1.977467e-01 1.894601e-03 2.130094e-03 -6.000000e+00 6.593412e-03 228.09 -2.00 3.11 -2.00 316.26 0.00e+00 2.450937e-04 2.188277e-04 1.780552e-04 -6.000000e+00 3.009684e-04 293.79 -2.00 20.00 -2.00 315.41 0.00e+00 1.528 0.000 302.00 328.00 3 6.5384e+00 4.9077e-03 1.7249e-02 -6.0000e+00 1.6316e-02 5.7207e-02 5.4554e-03 9.0097e-03 -6.0000e+00 1.7541e-02 7.8696e-04 3.1585e-03 4.3886e-03 -6.0000e+00 1.0523e-02 -3.7814e-03 1.4851e-03 1.2348e-03 -6.0000e+00 4.5693e-03 1.3866e-04 -5.1521e-05 1.1238e-04 1.7373e-05 -6.0000e+00 3.3236e-04 -5.2231e-02 3.5106e-05 11 9 0 11 8 0 99.88 19.88 0.18 -0.05223 -0.05262 8 8 1 5 0 3916.350 26.11 20.00 19.88 33.82 41.5 984.48 409 955 -1511 -2312 -4245 -786 -1927 -736 -22 -1619 -2723 -1225 -312 157 2726 25 -1057 1750 1116 321 276 2097 -263 1723 1213 -531 -869 -1046 1171 -1299 1132 1786 -187 354 -2991 -1025 -2248 1053 -1258 295 82 -486 -46 -864 -252 437 -995 -1558 -1180 -411 644 764 984 970 1333 1254 212 637 -379 -101 313 1281 1897 1676 169 -181 -829 -1050 307 975 330 513 189 1563 703 -141 -1267 -2054 -2241 -1460 -1129 -1950 -1661 -1206 -494 -269 -101 616 411 778 149 224 -746 -86 -737 -168 906 656 562 -239 -503 -678 -694 -760 -519 -700 -543 -59 552 850 718 858 385 -46 -240 -538 46 -78 778 61 507 395 -31 700 142 -196 -243 133 -329 -217 -355 -413 -541 -212 208 333 319 169 432 -445 153 -786 77 192 -314 -459 -786 -134 -345 -143 -5 -360 -614 -277 -76 42 789 8 -353 586 386 115 100 752 -98 651 480 -218 -355 -409 426 -470 410 680 -76 145 -1223 -408 -961 498 -698 181 55 -337 -32 -617 -179 306 -693 -1063 -787 -272 435 541 727 741 1037 993 171 511 -303 -81 256 1090 1697 1552 157 -160 -695 -862 260 888 321 516 191 1528 657 -123 -1037 -1624 -1815 -1266 -1060 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