File name: Pandora141s1_Calakmul_20250608_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250609T060551.6Z 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_20250608_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: 20250608 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 20250608T133415.5Z 9290.565457 239 1 20.04 2 61.04 73.56 149.98 260.25 0.00 1 0.00 1 0 17 1.288e-02 6.624e-03 9.872e-03 3.159e-03 2.493808e-01 1.702608e-03 2.712516e-03 -6.000000e+00 7.918217e-03 228.93 -2.00 3.11 -2.00 317.25 0.00e+00 1.660895e-04 2.495184e-04 2.394226e-04 -6.000000e+00 3.601517e-04 293.65 -2.00 20.00 -2.00 316.35 0.00e+00 2.056 0.000 302.00 328.00 3 5.3825e+00 4.4852e-03 2.2931e-02 -6.0000e+00 1.9635e-02 1.1619e-02 5.0212e-03 1.1644e-02 -6.0000e+00 2.1098e-02 1.3938e-02 2.9971e-03 5.6468e-03 -6.0000e+00 1.2647e-02 -1.0965e-02 1.4799e-03 1.5790e-03 -6.0000e+00 5.4802e-03 2.4757e-04 -1.4613e-04 1.0175e-04 2.1076e-05 -6.0000e+00 3.9808e-04 -5.2120e-02 3.2360e-06 12 9 1 12 9 1 99.99 19.88 0.28 -0.05212 -0.05322 16 25 1 5 0 1177.940 26.11 19.97 19.88 34.25 38.2 983.13 -2369 3009 97 -1305 -3743 -1801 3501 -2346 802 -3362 1338 -2285 1435 1852 -3277 1080 -438 5040 -1600 1428 -2092 2168 -216 -984 1243 -641 652 -1909 3297 1225 1322 812 758 -419 -2948 -1088 -953 -982 -1410 -1030 428 -470 -510 -1243 -520 -2144 -717 -1540 -199 73 -896 1530 449 1450 1044 1010 293 662 57 444 1575 1659 2065 342 736 368 -137 390 1510 1063 377 -257 379 531 -586 301 -1126 -669 -535 -142 -736 -2508 -1178 -1842 -772 -921 -22 237 150 140 393 168 -708 801 117 636 645 475 -60 -364 -557 -1324 270 -90 -980 -588 -561 -157 161 997 407 546 -198 576 144 492 598 342 -67 -244 -176 -164 103 -186 517 111 62 803 206 435 -405 -481 120 -297 -100 -509 381 -153 210 -10 -110 -221 -261 343 12 -151 -410 -186 360 -283 103 -471 182 -332 221 322 -669 230 -100 1134 -396 355 -549 551 -57 -274 357 -193 193 -555 875 326 365 241 240 -136 -956 -345 -323 -381 -635 -521 231 -268 -298 -739 -308 -1282 -419 -889 -113 42 -533 940 292 972 722 713 211 474 41 316 1142 1264 1666 290 622 299 -106 296 1191 911 346 -245 360 493 -521 247 -874 -501 -412 -118 -669 -2478 -1213 -1987 -866 -1084 -27 293 187 170 453 182 -731 805 122 705 770 605 -80 -481 -709 -1612 318 -108 -1237 -772 -762 -220 232 1492 629 848 -302 839 200 658 796 469 -96 -364 -268 -247 152 -270 723 151 83 1063 283 625 -605 -734 186 -473 -165 -868 659 -269 369 -18 -188 -371 SS 20250608T135355.2Z 9290.579111 251 1 2.91 2 56.57 74.35 154.37 260.23 0.00 1 0.00 1 0 17 8.667e-03 6.266e-03 3.951e-03 1.961e-03 2.233588e-01 1.065041e-03 2.439187e-03 -6.000000e+00 5.326922e-03 228.93 -2.00 3.11 -2.00 316.13 0.00e+00 3.968419e-04 1.192768e-04 1.592779e-04 -6.000000e+00 2.422738e-04 293.65 -2.00 20.00 -2.00 315.29 0.00e+00 1.809 0.000 302.00 328.00 3 3.1313e+00 2.7582e-03 2.0241e-02 -6.0000e+00 1.3210e-02 -1.3112e-03 3.0590e-03 1.0317e-02 -6.0000e+00 1.4194e-02 2.7852e-03 1.7676e-03 5.0233e-03 -6.0000e+00 8.5084e-03 -4.0876e-03 8.2642e-04 1.3997e-03 -6.0000e+00 3.6867e-03 3.1294e-03 8.0487e-05 6.2438e-05 2.0011e-05 -6.0000e+00 2.6778e-04 -5.0965e-02 5.2449e-05 12 1 1 12 1 1 99.98 19.88 0.10 -0.05097 -0.05036 23 248 1 5 0 120.760 26.11 19.98 19.88 34.68 38.3 983.14 167 -609 -1789 -2777 -1183 -666 1085 1204 69 -812 -669 -302 1209 -1212 956 -666 -600 371 264 -149 429 1590 486 1312 1668 883 17 167 -459 476 1973 798 320 -1777 -2385 -1937 -1590 -925 -600 -256 -1664 -997 -766 -397 -620 -364 -984 -1165 116 202 523 576 1012 1028 462 1455 547 38 37 614 1258 1836 1912 1284 556 71 -76 199 1232 871 425 868 550 304 -56 -350 -1020 -574 -1133 -886 -1211 -1891 -1785 -1522 -950 -661 -138 153 -164 245 -256 -137 -512 18 336 345 463 282 131 -387 -672 -485 174 -273 -443 -714 -658 -196 419 741 746 462 445 -34 432 400 432 314 -8 -130 -94 -23 -135 294 284 93 610 654 88 167 -237 -153 -337 154 -144 -121 181 -151 -3 -230 -174 -333 32 -126 -381 -570 -222 -120 199 242 15 -187 -155 -71 304 -344 293 -221 -207 131 96 -56 162 598 186 518 683 372 7 68 -180 182 766 330 139 -794 -1045 -841 -727 -471 -343 -160 -1119 -691 -541 -282 -441 -258 -691 -805 79 137 364 418 760 795 366 1162 444 31 30 495 1031 1562 1704 1183 513 63 -64 167 1065 804 414 867 551 300 -53 -314 -867 -472 -957 -796 -1166 -1934 -1901 -1674 -1083 -782 -168 189 -203 298 -299 -152 -543 18 357 387 551 354 170 -499 -841 -583 204 -326 -551 -921 -872 -267 583 1063 1096 682 643 -48 576 517 558 415 -11 -184 -136 -34 -192 408 384 122 784 841 117 230 -336 -220 -492 229 -221 -191 290 -245 -5 -371 -276 -520 SS 20250608T140245.3Z 9290.585246 254 1 21.98 2 54.55 74.67 156.34 260.11 0.00 1 0.00 1 0 17 1.308e-02 6.806e-03 8.173e-03 3.192e-03 2.136987e-01 1.721233e-03 2.331236e-03 -6.000000e+00 8.041294e-03 228.93 -2.00 3.11 -2.00 316.87 0.00e+00 2.167890e-04 2.278976e-04 2.161346e-04 -6.000000e+00 3.656190e-04 293.65 -2.00 20.00 -2.00 315.98 0.00e+00 1.719 0.000 302.00 328.00 3 5.6986e+00 4.5054e-03 1.9289e-02 -6.0000e+00 1.9941e-02 1.7800e-02 5.0248e-03 9.9238e-03 -6.0000e+00 2.1424e-02 8.5902e-03 2.9437e-03 4.8192e-03 -6.0000e+00 1.2843e-02 -7.8010e-03 1.4197e-03 1.3512e-03 -6.0000e+00 5.5666e-03 2.6342e-04 1.0866e-04 1.0304e-04 1.8495e-05 -6.0000e+00 4.0406e-04 -5.3285e-02 3.9218e-05 12 9 1 12 9 1 99.99 19.88 0.25 -0.05329 -0.05247 36 51 1 5 0 593.600 26.11 20.00 19.88 34.71 38.5 983.25 -408 1682 -3169 -2602 -3308 -2398 3517 286 5508 -811 3276 -4570 2087 -1626 1396 -179 -468 828 -1457 2154 -1611 1926 -240 1441 310 1055 721 -1147 1181 932 3270 843 1098 -1412 -2723 -1560 -1076 -1321 -1297 -1249 -1669 -982 -551 -373 -1042 -1712 -440 -1051 -147 36 618 419 665 503 1165 1444 163 961 -487 1505 1213 1015 2491 1328 635 -111 -86 66 977 1201 523 331 524 445 -119 -255 -1550 -228 -157 -568 -489 -1813 -1542 -1997 -1110 -857 269 173 48 230 -213 272 -373 1182 -416 815 302 190 63 -342 -680 -908 107 115 -487 -1309 -596 -251 98 696 254 344 193 258 -262 596 726 728 435 -381 -59 -105 64 23 466 331 604 438 300 402 -760 -178 -49 -152 -304 -110 503 -52 128 -442 105 -502 -59 256 -514 -399 -470 -323 466 43 865 -141 552 -847 395 -356 331 -46 -127 229 -424 625 -494 574 -74 456 104 360 245 -379 364 281 992 278 382 -509 -964 -542 -397 -559 -636 -689 -998 -610 -350 -238 -670 -1100 -275 -646 -88 22 382 273 453 356 840 1059 122 715 -364 1107 919 810 2085 1163 556 -93 -68 51 784 1044 489 321 509 422 -108 -214 -1218 -170 -120 -473 -444 -1787 -1599 -2170 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