File name: Pandora141s1_Calakmul_20241212_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241213T055927.0Z 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_20241212_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: 20241212 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 20241212T132548.3Z 9112.559587 203 1 30.63 2 77.12 120.14 135.52 324.50 0.00 1 0.00 1 0 25 2.031e-01 1.110e-02 1.889e-01 8.438e-03 4.315878e-01 4.588921e-03 4.640646e-03 -6.000000e+00 1.232816e-01 225.06 -2.00 3.11 -2.00 319.81 0.00e+00 -2.876974e-04 1.446280e-03 9.842254e-04 -6.000000e+00 5.618817e-03 291.21 -2.00 20.00 -2.00 319.04 0.00e+00 4.368 0.000 302.00 328.00 3 4.9011e+00 1.3333e-02 4.6559e-02 -6.0000e+00 3.0324e-01 6.6703e-02 1.6126e-02 2.1216e-02 -6.0000e+00 3.2658e-01 -1.9141e-02 1.2708e-02 1.0052e-02 -6.0000e+00 1.9610e-01 1.4158e-03 6.5980e-03 3.0587e-03 -6.0000e+00 8.5673e-02 3.5912e-05 -4.8006e-04 2.7490e-04 3.7480e-05 -6.0000e+00 6.2652e-03 -6.6442e-02 1.2426e-04 12 9 9 12 9 1 98.07 19.97 0.37 -0.06644 -0.07005 8 18 1 5 0 3402.980 26.11 20.00 19.97 26.91 33.6 990.65 -14504 -46976 -63167 93323 149955 14667 -20065 14169 3850 -52108 87717 -18509 -5862 -32303 8529 10753 50737 12345 7005 16502 -11881 685 -5708 -20571 -4727 -17777 5280 -12504 3092 -9066 18614 -8397 3028 -8791 -3170 2716 -5848 6186 6892 3829 -2184 -1672 3003 968 421 -6426 -3968 -1014 6321 218 2088 2996 4829 -458 3143 -1326 2020 1989 -1169 -965 1083 -695 527 5337 -793 -149 2636 -2056 2502 4001 1224 72 602 744 -2509 2199 -584 387 -1146 -2373 -1758 -1685 -2125 -1651 -1475 -1358 1522 -72 1342 221 904 707 -606 994 -1846 1575 996 -11 -565 -336 -1095 -1686 366 13 -1843 -1586 -335 -1180 1426 96 1178 655 -32 669 -368 -378 2216 325 31 -779 -903 -311 889 510 1129 -156 -178 -327 571 1124 -569 -249 -833 603 -341 -1056 414 408 571 365 -230 -874 -232 -1160 -1930 768 1234 193 -387 223 75 -1866 882 -544 -175 -1474 312 441 1566 587 372 841 -819 43 -391 -1734 -370 -1660 402 -1099 228 -759 1299 -852 306 -1046 -355 287 -719 791 1046 700 -473 -387 694 233 103 -1687 -1022 -255 1509 57 574 887 1520 -161 1125 -514 779 770 -462 -378 428 -298 244 2549 -413 -76 1255 -1023 1276 2232 762 47 398 476 -1553 1202 -304 196 -619 -1452 -1204 -1279 -1748 -1431 -1352 -1315 1509 -75 1376 223 864 636 -522 843 -1696 1547 1090 -13 -729 -435 -1371 -1986 404 14 -2191 -1982 -434 -1613 2019 147 1888 1085 -52 1062 -561 -556 3177 487 49 -1280 -1509 -511 1418 795 1695 -229 -255 -474 872 1835 -997 -452 -1567 1166 -694 -2243 892 893 1250 787 -485 -1791 SS 20241212T133143.2Z 9112.563694 206 1 59.98 2 75.92 120.78 136.26 326.09 0.00 1 0.00 1 0 17 3.827e-02 4.554e-03 2.336e-02 1.492e-03 4.070885e-01 8.090602e-04 4.343871e-03 -6.000000e+00 2.323411e-02 225.06 -2.00 3.11 -2.00 319.60 0.00e+00 7.956274e-04 2.399610e-04 3.027707e-04 -6.000000e+00 1.058806e-03 291.21 -2.00 20.00 -2.00 318.82 0.00e+00 4.018 0.000 302.00 328.00 3 2.8576e+00 2.3159e-03 4.2850e-02 -6.0000e+00 5.7151e-02 -2.4098e-02 2.7646e-03 1.9019e-02 -6.0000e+00 6.1542e-02 3.2436e-02 2.1454e-03 9.4773e-03 -6.0000e+00 3.6954e-02 -2.1191e-02 1.1254e-03 2.8143e-03 -6.0000e+00 1.6152e-02 4.0757e-04 -7.0795e-04 4.8638e-05 3.6166e-05 -6.0000e+00 1.1803e-03 -6.9044e-02 1.1668e-04 11 1 0 11 8 0 99.97 19.97 0.15 -0.06904 -0.07436 251 251 1 5 0 238.910 26.11 19.99 19.97 27.01 33.6 990.67 5488 -22129 12390 -15711 -5224 -16614 -5603 -7707 -13161 1008 -14295 1796 -9252 628 -3386 620 3027 -2053 4964 -4437 1197 -268 2938 -99 -1337 -347 -1326 1251 -3507 3713 -3143 1451 54 -97 -1070 -3777 -1326 -1270 148 -1701 -1226 -2154 -225 -645 -1018 212 -915 1063 -1426 919 -134 916 492 -343 1061 -266 655 -651 426 283 1275 1662 1625 1623 317 538 -277 730 1010 1519 669 432 330 -88 586 -676 -748 -857 -335 -751 -943 -1246 -1881 -1129 -1268 -294 -49 449 104 252 529 404 700 189 665 459 573 498 -1 -387 -438 -617 -225 83 -706 -893 -910 -271 -86 453 510 249 166 -66 304 264 555 304 -4 -129 -463 -154 -167 159 -1 145 424 477 464 277 -142 -390 -203 -89 -69 -94 58 39 80 -102 -42 -30 81 -480 209 -339 -97 -331 -106 -166 -335 24 -416 48 -314 23 -152 31 161 -123 296 -304 81 -19 205 -8 -111 -30 -118 106 -304 305 -296 147 6 -12 -129 -466 -171 -190 26 -355 -284 -540 -58 -171 -275 57 -251 287 -400 260 -41 299 174 -130 415 -109 273 -277 178 118 542 750 801 858 175 290 -145 377 553 913 440 299 230 -60 375 -405 -417 -467 -191 -477 -672 -981 -1601 -1008 -1197 -291 -51 476 111 263 525 379 622 167 616 465 640 605 -2 -506 -553 -733 -255 95 -846 -1127 -1199 -371 -124 690 816 410 272 -105 459 385 804 453 -7 -209 -766 -251 -268 249 -1 213 609 692 708 452 -245 -697 -373 -169 -136 -192 122 82 172 -215 -86 -59 SS 20241212T134207.7Z 9112.570922 209 1 6.33 2 73.81 121.96 137.49 329.01 0.00 1 0.00 1 0 17 6.573e-02 1.012e-02 5.630e-02 8.171e-03 3.560715e-01 4.366066e-03 3.791358e-03 -6.000000e+00 3.990384e-02 225.06 -2.00 3.11 -2.00 318.45 0.00e+00 1.964340e-04 9.098332e-04 2.510428e-04 -6.000000e+00 1.818561e-03 291.21 -2.00 20.00 -2.00 317.62 0.00e+00 3.527 0.000 302.00 328.00 3 4.4425e+00 1.1770e-02 3.7521e-02 -6.0000e+00 9.8155e-02 4.9104e-02 1.3461e-02 1.6427e-02 -6.0000e+00 1.0570e-01 -2.7325e-03 8.9883e-03 8.0532e-03 -6.0000e+00 6.3469e-02 -4.6859e-03 4.7160e-03 2.3023e-03 -6.0000e+00 2.7737e-02 1.3644e-04 4.3250e-04 2.6195e-04 2.8809e-05 -6.0000e+00 2.0272e-03 -6.6676e-02 1.8955e-04 12 9 9 12 1 1 999.00 19.97 0.21 -0.06668 -0.06343 2 28 1 5 0 2108.870 26.11 19.98 19.97 27.45 33.4 990.98 -32715 -8227 -40844 15160 22727 26874 -12807 -9273 -10178 -8630 737 -14798 -3919 -9031 3658 -143 6697 -8326 5456 7440 -2412 644 -693 -1968 -4542 -765 4772 -3006 4784 -5526 9419 1052 8164 -1197 -5371 -7585 -1704 7887 67 -2130 -4294 3092 -2560 -434 -1149 816 2252 -26 508 1180 62 186 972 -1133 1709 1608 1420 132 1292 4235 997 2512 1649 2802 498 -691 1284 -1754 2048 -209 1731 -1085 446 1612 -1686 306 -1738 -2315 -1380 -1943 -1447 -2423 -2017 -3245 -1853 -318 -18 337 929 941 49 225 -1386 641 397 -351 669 1608 818 109 -996 -1145 161 -77 -490 -966 -392 -570 558 792 1177 -104 128 755 572 -67 -284 -467 -871 503 487 92 197 -273 215 135 -132 124 306 388 -32 -265 -158 210 242 -309 657 -158 36 -441 149 -730 -1786 -401 -2829 607 791 867 -627 -490 -606 -540 44 -1072 -289 -813 338 -15 731 -1104 670 935 -342 90 -100 -305 -768 -131 780 -512 734 -931 1470 195 1546 -257 -1177 -1687 -383 1873 20 -742 -1673 1199 -1078 -182 -489 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