File name: Pandora141s1_Calakmul_20250527_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250528T060046.3Z 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_20250527_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: 20250527 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 20250527T133643.4Z 9278.567169 125 1 31.23 2 60.29 75.45 65.60 68.00 0.00 1 0.00 1 0 17 6.049e-02 1.757e-02 6.806e-02 1.665e-02 2.458352e-01 8.967366e-03 2.687988e-03 -6.000000e+00 3.723828e-02 229.45 -2.00 3.11 -2.00 318.00 0.00e+00 2.001359e-03 1.574531e-03 5.526127e-04 -6.000000e+00 1.688491e-03 293.31 -2.00 20.00 -2.00 317.07 0.00e+00 2.009 0.000 302.00 328.00 3 7.8446e+00 2.4010e-02 2.2467e-02 -6.0000e+00 9.2469e-02 4.3403e-02 2.7122e-02 1.1441e-02 -6.0000e+00 9.9334e-02 1.7930e-02 1.6697e-02 5.6968e-03 -6.0000e+00 5.9504e-02 -1.6945e-02 8.4144e-03 1.7951e-03 -6.0000e+00 2.5746e-02 2.1644e-05 -8.6231e-04 5.5060e-04 2.0970e-05 -6.0000e+00 1.8696e-03 -5.6206e-02 -1.9579e-04 12 9 8 11 8 0 99.92 19.88 1.22 -0.05621 -0.06269 12 12 1 5 0 2602.240 26.11 19.97 19.88 33.94 38.0 983.75 6801 -2061 1177 6129 -9597 26898 -21063 7093 1086 -6694 -7128 8469 4975 -8028 -3637 -7476 33868 7266 16572 10885 -2907 -3088 -12153 4533 -14733 8845 -2318 3268 7722 -1875 10307 3202 4005 -9337 17074 -6723 -7943 4304 1735 627 -4009 2889 -2027 6412 -5317 -1199 3230 1758 -2737 -3023 -3596 -1202 1034 -2255 864 1843 -2302 5745 -4478 2289 -1504 4526 -1481 3690 -1346 1403 1862 -2990 960 207 126 -154 4255 -637 -187 2596 -2058 2943 1221 1173 -1134 1497 -2298 -2582 -298 1181 -279 -635 403 -1159 1517 -2713 -626 283 1822 1016 -1449 257 -2454 1141 -1526 -976 2155 -134 1021 -1821 317 -1226 1347 -326 450 1091 1270 199 -1634 2270 -874 -741 -452 493 953 2695 150 -527 671 -2480 -1162 -1551 471 -154 -576 347 -559 672 -1234 -44 45 2869 -371 -1339 19 160 535 -193 109 521 -871 1660 -2109 600 106 -735 -795 845 567 -1180 -580 -1356 4399 1263 2738 1963 -611 -653 -2838 941 -3844 1899 -550 707 1534 -403 2063 740 982 -2650 3666 -1793 -2296 1279 619 258 -1881 1338 -1014 3009 -2798 -606 1546 836 -1342 -1498 -1868 -649 578 -1357 520 1124 -1478 3412 -2903 1396 -982 2973 -1108 2757 -1053 1013 1255 -2068 676 161 106 -136 3616 -549 -151 1869 -1420 1861 812 860 -942 1326 -2248 -2668 -320 1330 -334 -786 494 -1400 1680 -2886 -605 265 1750 1070 -1714 325 -3344 1497 -1951 -1161 2407 -157 1249 -2416 431 -1766 1986 -515 733 1782 2013 300 -2341 2988 -1178 -1034 -665 757 1496 4146 231 -788 952 -3464 -1550 -2082 651 -226 -890 546 -907 1120 -2191 -80 85 5373 -719 -2576 36 286 SS 20250527T141017.5Z 9278.590480 147 1 30.22 2 52.57 76.86 58.45 68.97 0.00 1 0.00 1 0 17 7.638e-03 5.620e-03 6.289e-04 2.999e-04 2.007068e-01 1.628188e-04 2.184715e-03 -6.000000e+00 4.707975e-03 229.45 -2.00 3.11 -2.00 316.27 0.00e+00 2.586788e-04 1.869313e-05 1.158138e-04 -6.000000e+00 2.131757e-04 293.31 -2.00 20.00 -2.00 315.43 0.00e+00 1.641 0.000 302.00 328.00 3 1.7341e+00 4.2303e-04 1.8341e-02 -6.0000e+00 1.1691e-02 1.3839e-03 4.6920e-04 9.3111e-03 -6.0000e+00 1.2554e-02 6.9481e-03 2.7160e-04 4.5265e-03 -6.0000e+00 7.5210e-03 -6.4210e-03 1.2756e-04 1.2601e-03 -6.0000e+00 3.2582e-03 1.5418e-02 -9.8942e-05 9.5986e-06 1.7930e-05 -6.0000e+00 2.3598e-04 -5.8751e-02 5.3532e-05 10 0 0 10 0 0 99.99 19.88 0.16 -0.05875 -0.05949 1762 1762 1 5 0 17.010 26.11 19.98 19.88 35.04 38.3 983.92 31 -423 -1272 -2036 -2183 -1168 -73 1042 798 -738 -1275 -813 -191 181 1 -278 -141 249 346 475 432 694 715 776 1055 596 157 -169 530 896 1257 1936 1071 -576 -1943 -1785 -1640 -619 -294 -860 -1199 -988 -722 -676 -496 -530 -806 -885 -487 -61 332 745 855 693 550 749 591 238 376 554 1105 1485 1777 1056 385 -170 -239 251 1026 1080 471 330 382 194 65 -119 -493 -459 -499 -618 -1225 -1680 -1856 -1623 -1065 -597 -314 122 52 203 238 242 124 532 398 495 535 292 -36 -324 -610 -689 -75 0 -585 -668 -689 -304 145 634 501 336 121 15 220 354 515 558 310 -70 -114 -132 -133 69 158 148 423 568 385 251 -182 -346 -173 123 -35 -53 147 21 -32 -181 -205 -398 6 -83 -254 -389 -414 -207 -13 206 174 -157 -273 -176 -45 47 0 -88 -47 84 121 170 158 254 264 298 424 248 65 -67 195 318 455 740 437 -243 -801 -723 -709 -306 -158 -534 -817 -656 -491 -463 -339 -360 -577 -616 -329 -41 230 543 610 517 422 586 469 189 295 434 885 1259 1609 940 367 -153 -199 202 858 997 444 326 379 187 63 -105 -397 -376 -420 -530 -1174 -1653 -1955 -1802 -1252 -700 -388 155 66 250 273 270 127 561 406 547 651 364 -48 -425 -760 -854 -89 0 -715 -867 -938 -429 201 922 759 512 178 21 297 449 645 725 430 -97 -163 -190 -186 98 214 191 557 743 495 342 -260 -507 -259 180 -53 -85 244 33 -51 -305 -335 -632 SS 20250527T142336.3Z 9278.599726 156 1 31.23 2 49.49 77.35 55.60 69.24 0.00 1 0.00 1 0 17 1.701e-02 9.538e-03 1.323e-02 5.753e-03 1.983946e-01 3.110228e-03 2.140713e-03 -6.000000e+00 1.048489e-02 229.44 -2.00 3.11 -2.00 316.57 0.00e+00 1.555617e-03 3.833284e-04 2.146872e-04 -6.000000e+00 4.747245e-04 293.31 -2.00 20.00 -2.00 315.71 0.00e+00 1.536 0.000 302.00 328.00 3 7.0915e+00 8.1129e-03 1.7388e-02 -6.0000e+00 2.6037e-02 8.5150e-02 9.0263e-03 9.1316e-03 -6.0000e+00 2.7958e-02 4.6573e-03 5.2440e-03 4.4382e-03 -6.0000e+00 1.6750e-02 -8.8328e-03 2.4890e-03 1.4424e-03 -6.0000e+00 7.2562e-03 7.7422e-05 1.0723e-04 1.8529e-04 1.6497e-05 -6.0000e+00 5.2551e-04 -5.7595e-02 1.0770e-04 12 8 8 10 0 0 99.95 19.88 0.67 -0.05760 -0.05679 12 12 1 5 0 2601.980 26.11 20.01 19.88 35.49 38.3 983.92 -2925 -5180 -6035 484 -1653 1106 -418 6098 -58 4057 -5741 -5364 -864 -392 877 1358 86 538 3809 713 -2148 1952 2286 2178 3761 1407 -1706 -733 1056 1784 2408 -1147 2749 -144 -3015 -1641 -1476 -2922 839 -137 -1533 -1820 -1071 697 -655 -633 -2160 -959 -181 -1349 957 956 1089 421 329 638 311 2161 189 219 934 1056 2599 2133 264 -189 94 -1544 926 2513 224 -212 1123 541 606 -512 -1029 -1163 -762 -1131 -1900 -1968 -1966 -2835 -951 -1025 258 623 1271 943 -289 -1165 -155 -460 -672 615 381 1012 696 -29 -765 -1135 -768 -290 -1608 -849 -260 -228 543 1409 904 845 1155 -540 -86 -97 -469 -141 276 708 374 372 330 430 512 -51 -486 -586 -72 -776 -385 -361 -980 -113 -66 470 901 261 527 -277 -106 -974 -502 -984 -1177 84 -269 166 -65 979 -11 753 -1171 -1109 -185 -94 232 387 26 166 1173 232 -733 642 754 743 1317 515 -638 -260 350 571 786 -411 1004 -55 -1140 -603 -575 -1317 424 -79 -969 -1206 -723 468 -445 -428 -1454 -623 -114 -858 615 645 770 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