File name: Pandora141s1_Calakmul_20250428_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250429T055929.7Z 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_20250428_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: 20250428 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 20250428T134038.1Z 9249.569885 117 1 3.41 2 60.86 83.59 69.11 73.61 0.00 1 0.00 1 0 17 9.372e-03 5.996e-03 4.342e-03 1.986e-03 2.532395e-01 1.083862e-03 2.750680e-03 -6.000000e+00 5.789659e-03 229.74 -2.00 3.11 -2.00 316.33 0.00e+00 2.392258e-04 1.259204e-04 1.658992e-04 -6.000000e+00 2.606827e-04 292.46 -2.00 20.00 -2.00 315.50 0.00e+00 2.044 0.000 302.00 328.00 3 3.0815e+00 2.8173e-03 2.2939e-02 -6.0000e+00 1.4393e-02 1.2897e-02 3.1226e-03 1.1745e-02 -6.0000e+00 1.5447e-02 2.7708e-03 1.8127e-03 5.7054e-03 -6.0000e+00 9.2473e-03 -4.8726e-03 8.5750e-04 1.5889e-03 -6.0000e+00 4.0065e-03 2.4748e-03 -5.3015e-04 6.3034e-05 2.2321e-05 -6.0000e+00 2.8948e-04 -6.7478e-02 1.1194e-04 12 1 1 12 1 1 99.70 20.01 0.17 -0.06748 -0.07146 14 265 1 5 0 226.570 26.11 20.00 20.01 32.43 37.1 986.15 -559 -769 -1362 -1588 -4052 -1466 -1026 333 -806 1868 -2720 -1870 -1089 541 -540 -213 30 117 720 335 1095 679 1186 517 1413 1029 535 -147 -661 498 1701 2518 1110 -529 -1477 -2965 -2173 -1124 -313 -874 -807 -970 -469 -680 -89 -186 -547 -851 -776 231 165 605 1203 545 717 771 614 275 272 344 774 1800 1543 1008 642 73 -342 210 795 816 608 276 586 192 490 -92 -587 -830 -815 -431 -1199 -1552 -1984 -1432 -1351 -455 -232 41 -52 234 201 -58 167 407 233 632 631 14 41 -18 -626 -898 -498 88 -745 -928 -816 -345 187 610 626 415 356 -348 272 396 471 219 589 78 102 313 -48 179 83 369 230 443 378 419 -108 -166 -246 18 -13 -120 -103 119 -44 -239 -213 -524 -93 -139 -255 -289 -701 -237 -170 59 -158 377 -578 -404 -252 137 -153 -65 10 38 242 116 385 241 424 192 543 408 213 -57 -248 182 631 983 461 -227 -628 -1259 -959 -545 -170 -524 -517 -646 -318 -467 -61 -127 -372 -573 -517 154 112 428 882 414 556 607 490 219 216 273 623 1493 1345 911 584 64 -292 175 681 742 584 274 584 189 463 -83 -501 -687 -686 -384 -1146 -1575 -2105 -1565 -1530 -532 -280 50 -64 284 235 -65 178 425 248 706 747 18 53 -23 -794 -1095 -591 105 -925 -1195 -1080 -467 260 874 920 616 520 -495 370 522 616 292 810 111 148 453 -69 252 114 491 299 576 505 580 -154 -241 -364 27 -21 -191 -167 195 -72 -392 -343 -830 SS 20250428T134531.4Z 9249.573280 120 1 60.64 2 59.71 83.90 68.03 73.84 0.00 1 0.00 1 0 25 1.477e-02 6.815e-03 1.099e-02 3.369e-03 2.472110e-01 1.821734e-03 2.671542e-03 -6.000000e+00 9.126790e-03 229.74 -2.00 3.11 -2.00 317.36 0.00e+00 8.256664e-04 2.717295e-04 2.267341e-04 -6.000000e+00 4.109214e-04 292.46 -2.00 20.00 -2.00 316.49 0.00e+00 1.974 0.000 302.00 328.00 3 6.3764e+00 4.8107e-03 2.2243e-02 -6.0000e+00 2.2690e-02 6.0355e-02 5.3819e-03 1.1514e-02 -6.0000e+00 2.4349e-02 5.3556e-03 3.2254e-03 5.6122e-03 -6.0000e+00 1.4577e-02 -7.2823e-03 1.5994e-03 1.5993e-03 -6.0000e+00 6.3166e-03 9.6496e-05 -2.2067e-04 1.0887e-04 2.0481e-05 -6.0000e+00 4.5622e-04 -6.6926e-02 1.8365e-04 12 9 1 12 9 1 99.99 20.03 0.15 -0.06693 -0.06858 21 22 1 5 0 2755.800 26.11 20.02 20.03 32.52 37.2 986.23 324 -1504 -1989 -2806 5092 -5819 2825 6731 3683 -1282 374 -191 -2388 3007 222 -1440 1427 -1371 1450 -2714 2835 1959 -651 -450 -1657 -638 21 -2188 -181 2288 1235 3303 1090 -1687 -2069 -1393 -1871 -2581 -32 -291 11 -1625 -403 -819 178 381 -774 -1497 -829 -782 -856 656 1225 295 1791 613 926 115 121 987 1123 1766 2090 1909 406 60 -509 -575 405 616 330 548 609 -229 727 -402 -1142 -1954 -1689 -1372 -828 -1088 -1631 -1597 -1160 67 40 490 641 299 608 330 -137 -251 137 718 486 985 482 -180 -891 -859 -904 -742 -879 -925 -955 -361 181 967 698 395 118 488 200 -86 -56 161 -518 177 100 353 -61 562 247 -196 115 168 731 -317 176 -544 -293 87 -50 173 174 92 410 -163 -202 -697 33 -174 -238 -327 507 -608 279 705 438 -168 49 -26 -359 486 42 -301 307 -315 336 -676 687 481 -166 -119 -465 -183 6 -614 -48 574 322 908 327 -533 -640 -421 -600 -951 -13 -140 6 -908 -230 -475 102 218 -443 -845 -459 -433 -491 393 769 195 1201 424 648 81 84 683 794 1307 1649 1578 342 49 -390 -429 312 515 298 515 576 -213 636 -330 -868 -1431 -1260 -1107 -729 -1041 -1662 -1703 -1295 78 49 612 801 366 707 360 -140 -249 140 780 573 1245 640 -240 -1151 -1049 -1066 -885 -1101 -1216 -1304 -509 264 1462 1095 628 184 723 281 -115 -74 220 -744 264 153 538 -92 818 348 -266 152 221 991 -454 261 -831 -455 138 -83 297 305 164 734 -289 -351 -1186 SS 20250428T135143.2Z 9249.577583 123 1 60.36 2 58.25 84.31 66.66 74.12 0.00 1 0.00 1 0 17 7.395e-03 5.079e-03 1.802e-03 5.487e-04 2.347791e-01 2.972334e-04 2.528384e-03 -6.000000e+00 4.568094e-03 229.74 -2.00 3.11 -2.00 317.53 0.00e+00 1.733541e-04 4.561867e-05 1.808492e-04 -6.000000e+00 2.056948e-04 292.46 -2.00 20.00 -2.00 316.63 0.00e+00 1.893 0.000 302.00 328.00 3 2.8048e+00 7.8786e-04 2.1270e-02 -6.0000e+00 1.1356e-02 2.9332e-05 8.8249e-04 1.0942e-02 -6.0000e+00 1.2188e-02 1.7037e-02 5.2812e-04 5.3128e-03 -6.0000e+00 7.2965e-03 -1.1969e-02 2.6120e-04 1.4872e-03 -6.0000e+00 3.1607e-03 3.8916e-03 -2.5493e-04 1.7938e-05 1.9317e-05 -6.0000e+00 2.2843e-04 -6.5621e-02 1.4587e-04 10 0 0 10 0 0 99.99 20.06 0.14 -0.06562 -0.06754 3147 3147 1 5 0 19.030 26.21 20.00 20.06 32.90 37.2 986.25 21 -27 -387 -1929 -1284 -846 354 1392 821 -505 -1279 -1563 -316 189 17 -421 -371 -246 -4 -256 167 312 750 554 600 584 258 51 309 897 989 2035 1056 -484 -1910 -2009 -1706 -797 -301 -811 -1109 -1012 -928 -688 -653 -590 -681 -716 -684 -120 72 605 909 650 538 729 620 248 408 500 1052 1429 1745 1261 636 -2 -376 100 825 1074 526 476 481 293 195 -45 -601 -658 -535 -575 -1090 -1459 -1822 -1706 -1047 -605 -258 230 154 358 358 264 100 386 410 468 529 441 94 -141 -567 -762 -285 -82 -591 -692 -769 -411 54 549 509 273 96 -8 54 213 395 448 298 -2 -88 -84 -153 33 122 95 306 427 493 289 -87 -359 -227 46 -68 -33 101 71 30 -135 -156 -318 2 -3 -45 -221 -134 -83 35 152 100 -66 -170 -213 -46 31 3 -87 -80 -55 -1 -62 41 77 187 144 164 166 73 14 79 222 252 549 308 -147 -571 -591 -532 -284 -127 -368 -558 -538 -507 -380 -361 -324 -369 -378 -353 -62 38 341 541 407 349 482 417 167 272 332 713 1025 1342 1027 523 -1 -275 71 604 867 466 443 451 268 167 -35 -430 -480 -399 -437 -931 -1375 -1850 -1831 -1188 -682 -306 281 189 425 426 289 100 373 410 508 634 540 123 -183 -705 -946 -337 -98 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