File name: Pandora141s1_Calakmul_20250321_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250327T114321.3Z 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_20250321_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: 20250321 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 20250321T131649.2Z 9211.553347 277 1 6.60 2 72.80 95.46 55.80 212.15 0.00 1 0.00 1 0 17 3.040e-01 1.027e-02 1.472e-01 9.208e-03 3.983184e-01 4.976519e-03 4.073113e-03 -6.000000e+00 1.870804e-01 227.73 -2.00 3.11 -2.00 318.88 0.00e+00 1.483328e-03 1.192851e-03 8.671849e-04 -6.000000e+00 8.448846e-03 291.41 -2.00 20.00 -2.00 318.06 0.00e+00 3.331 0.000 302.00 328.00 3 4.7871e+00 1.3729e-02 3.6802e-02 -6.0000e+00 4.6304e-01 6.7721e-02 1.5892e-02 1.8093e-02 -6.0000e+00 4.9743e-01 -8.3596e-03 1.1321e-02 9.5772e-03 -6.0000e+00 2.9790e-01 -5.5192e-03 5.9878e-03 3.8206e-03 -6.0000e+00 1.3053e-01 1.0684e-04 6.3654e-03 2.9392e-04 4.2508e-05 -6.0000e+00 9.4379e-03 -6.2613e-02 1.2143e-03 12 9 9 12 9 1 99.99 19.90 0.32 -0.06261 -0.01478 3 36 1 5 0 1648.450 26.11 20.02 19.90 27.82 37.4 988.34 900000 -25854 12643 -41670 238884 -1121 244019 22168 24825 7698 22523 -25040 16063 9989 -5044 24872 9507 -902 -6712 -6310 8827 -5543 19037 6825 6526 165 -3748 -1837 5691 4205 -2281 9471 687 -1827 -7327 -8796 -97 1193 -6892 -4854 -6531 3395 2069 1903 -1978 -1281 4728 -3180 -6056 355 -549 3354 2214 513 -1042 -2091 213 -1475 2678 563 1858 1355 3979 1729 903 1004 290 2995 -711 227 449 526 1040 1194 256 -1570 -1530 -563 -630 -636 -2879 -2265 -1599 -1323 301 75 -1267 824 -282 1007 463 26 939 1977 783 -333 -33 1704 313 -1019 -86 -668 -810 247 -854 -1131 -923 -1322 551 858 302 427 310 -105 -245 641 -366 -213 -280 -312 -366 1139 -425 89 398 -236 -492 1315 627 -559 746 -386 412 488 -407 142 389 -152 -173 -537 -82 -167 900000 -999 360 -1930 2144 -32 2191 597 726 282 746 -1381 691 538 -367 1551 746 -83 -691 -677 848 -617 1729 736 751 21 -498 -234 659 500 -311 1295 112 -317 -1319 -1602 -17 246 -1804 -1435 -2158 1092 699 657 -713 -462 1620 -1169 -2307 132 -217 1381 983 244 -521 -1085 111 -775 1347 288 967 754 2344 1100 588 635 178 1800 -468 162 344 417 821 912 186 -1075 -982 -353 -416 -464 -2361 -2010 -1500 -1297 307 81 -1421 931 -321 1106 487 26 888 1853 779 -363 -39 2142 416 -1361 -110 -808 -949 291 -1058 -1465 -1239 -1852 799 1307 481 690 495 -162 -363 915 -526 -315 -431 -494 -587 1789 -662 135 583 -337 -691 1852 933 -887 1223 -656 713 874 -760 272 759 -301 -343 -1047 -156 -310 SS 20250321T132221.2Z 9211.557190 281 1 60.24 2 71.49 95.94 56.49 213.31 0.00 1 0.00 1 0 17 3.072e-02 4.797e-03 1.534e-02 1.333e-03 3.700721e-01 7.231629e-04 3.921542e-03 -6.000000e+00 1.879124e-02 227.74 -2.00 3.11 -2.00 319.50 0.00e+00 5.748536e-04 2.009844e-04 3.481472e-04 -6.000000e+00 8.507126e-04 291.42 -2.00 20.00 -2.00 318.67 0.00e+00 3.110 0.000 302.00 328.00 3 2.8515e+00 2.0586e-03 3.4526e-02 -6.0000e+00 4.6503e-02 -3.5324e-02 2.4272e-03 1.7333e-02 -6.0000e+00 5.0037e-02 3.9955e-02 1.7814e-03 8.5753e-03 -6.0000e+00 2.9980e-02 -2.2823e-02 9.2933e-04 2.4722e-03 -6.0000e+00 1.2985e-02 9.8230e-04 -1.6681e-04 4.4216e-05 3.1899e-05 -6.0000e+00 9.4911e-04 -4.9505e-02 -4.5358e-06 10 0 0 10 0 0 100.00 19.90 0.08 -0.04951 -0.05076 1918 1918 1 5 0 31.270 26.11 20.00 19.90 28.14 37.7 988.40 -230 -2329 4216 -7743 9322 -17388 8306 -13672 7745 -520 -3893 -448 -5992 12698 -5159 3082 -3899 5734 -2389 2158 1604 -1470 4919 -2629 3984 -2414 599 -3168 174 1174 558 5690 -972 1398 -3302 1271 -1113 351 -776 -1853 -1322 -2637 -806 -2013 0 -1444 -373 -1421 -1115 281 -112 1325 -339 994 82 799 140 174 438 -119 1622 1189 1946 586 977 -10 -2 863 1000 1278 132 1076 -55 316 48 94 -41 -844 366 -793 -583 -1620 -1583 -1528 -999 -419 -177 473 -79 438 303 586 463 595 601 497 808 -1 134 -620 -440 -706 243 51 -651 -723 -968 -168 -58 609 238 112 34 -37 327 348 710 364 170 -276 -334 -142 -155 196 -146 151 381 717 383 84 -330 -451 -186 -28 -1 -171 229 -21 56 -149 39 -11 -5 -63 112 -222 217 -501 203 -451 235 -18 -144 -17 -273 573 -315 195 -284 407 -192 174 134 -128 419 -255 388 -260 63 -335 17 118 61 656 -130 189 -459 170 -165 60 -159 -441 -345 -741 -231 -596 0 -432 -111 -424 -335 86 -37 461 -128 394 34 342 61 76 190 -52 723 570 1009 327 551 -6 -1 452 561 792 90 754 -39 215 31 55 -22 -458 208 -509 -419 -1293 -1355 -1382 -954 -423 -187 510 -85 459 300 540 404 517 554 504 906 -2 173 -805 -544 -818 270 58 -782 -916 -1287 -233 -85 946 388 186 55 -58 483 495 1007 537 264 -448 -551 -232 -247 302 -218 216 532 1015 577 136 -564 -799 -339 -53 -2 -354 484 -44 121 -315 80 -21 SS 20250321T132806.6Z 9211.561187 284 1 19.30 2 70.14 96.45 57.24 214.48 0.00 1 0.00 1 0 17 1.608e-02 5.003e-03 1.182e-02 1.741e-03 3.436721e-01 9.352143e-04 3.669819e-03 -6.000000e+00 9.834908e-03 227.74 -2.00 3.11 -2.00 318.54 0.00e+00 4.545018e-04 1.974249e-04 3.689284e-04 -6.000000e+00 4.453178e-04 291.42 -2.00 20.00 -2.00 317.69 0.00e+00 2.911 0.000 302.00 328.00 3 3.3095e+00 2.5401e-03 3.2229e-02 -6.0000e+00 2.4338e-02 -2.4585e-03 2.9050e-03 1.6042e-02 -6.0000e+00 2.6190e-02 2.0953e-02 1.9412e-03 7.8356e-03 -6.0000e+00 1.5691e-02 -1.5126e-02 1.0152e-03 2.1963e-03 -6.0000e+00 6.7952e-03 7.6725e-04 -3.4239e-04 5.6119e-05 2.7594e-05 -6.0000e+00 4.9688e-04 -4.9091e-02 -4.2427e-05 12 1 1 12 1 1 100.00 19.91 0.07 -0.04909 -0.05166 130 407 1 5 0 147.290 26.11 20.01 19.91 28.57 37.5 988.43 -1756 643 956 -1958 -9966 -6362 -5283 -2821 1494 -4860 5843 -1983 339 1521 2123 -1083 -1128 -1183 1356 837 -381 2110 -1086 1373 670 202 -586 -1213 433 2111 1736 1739 880 -1100 -2456 -3159 -1846 -1184 -412 -850 -1373 -1043 -1878 -788 -836 -796 -619 -749 -117 118 404 734 907 708 867 787 415 -103 242 777 942 1531 1552 1032 538 -264 314 362 1397 1012 598 390 490 423 129 -585 -314 -250 -735 -825 -1119 -1628 -1671 -1474 -851 -474 139 440 377 106 309 184 134 239 199 666 535 203 -228 -470 -659 -746 70 13 -572 -655 -946 -269 148 620 383 242 18 79 156 513 554 547 403 -198 -259 -79 -108 126 225 -50 378 631 54 64 -86 -364 -294 40 -252 -101 232 49 -20 -207 184 -227 -74 29 45 -92 -470 -283 -246 -144 81 -295 332 -128 24 125 200 -117 -131 -145 170 110 -52 285 -155 204 106 33 -98 -197 67 325 287 316 174 -229 -508 -659 -410 -303 -123 -290 -515 -411 -771 -326 -348 -332 -257 -309 -48 50 180 347 455 373 472 441 237 -59 138 439 549 942 1024 720 380 -181 206 237 961 761 483 327 411 344 99 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