File name: Pandora141s1_Calakmul_20250805_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250806T061022.7Z 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_20250805_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: 20250805 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 20250805T130530.7Z 9348.545494 155 1 29.96 2 70.49 78.21 154.35 242.64 0.00 1 0.00 1 0 17 5.124e-02 6.647e-03 4.540e-02 4.409e-03 3.582826e-01 2.390231e-03 3.851379e-03 -6.000000e+00 3.137794e-02 227.36 -2.00 3.11 -2.00 319.11 0.00e+00 8.404798e-04 5.975307e-04 5.052148e-04 -6.000000e+00 1.433117e-03 293.75 -2.00 20.00 -2.00 318.24 0.00e+00 2.960 0.000 302.00 328.00 3 5.1222e+00 6.6473e-03 3.2957e-02 -6.0000e+00 7.7523e-02 -1.2552e-02 7.7464e-03 1.6857e-02 -6.0000e+00 8.3315e-02 2.1639e-02 5.4806e-03 8.2900e-03 -6.0000e+00 5.0019e-02 -1.5857e-02 2.8904e-03 2.3414e-03 -6.0000e+00 2.1813e-02 1.1795e-04 -8.8560e-04 1.4432e-04 3.0108e-05 -6.0000e+00 1.5817e-03 -6.8582e-02 8.3984e-05 11 9 0 11 8 0 99.99 19.84 0.20 -0.06858 -0.07524 28 28 1 5 0 1069.690 26.00 20.01 19.84 32.00 40.7 985.63 7463 10387 15773 -12345 27701 10122 -20023 20573 -2300 5928 -14283 -10079 10272 69 -16404 -1641 -179 3896 12990 -5978 -3427 -5053 7492 1171 -476 1465 -5658 -1407 3475 965 1902 3294 1993 -964 -233 -8203 -3098 -3375 523 -68 -1367 -990 -1395 -683 -795 -914 -1384 -505 -1342 2203 198 2188 -1041 1566 2321 -38 3199 -336 693 26 2608 669 2610 1192 273 1292 -1212 -767 -355 1217 618 816 141 1 68 -958 76 -487 345 -1250 -853 -1384 -2384 -1833 -1604 89 32 265 466 326 -422 -443 209 -437 611 250 1328 774 385 51 -789 -635 -423 505 -746 -802 -780 -366 -67 780 765 322 704 -50 141 157 -71 432 296 -345 -257 34 -264 785 84 -37 155 -94 201 -212 212 -740 -394 -98 -453 81 85 259 0 87 -6 46 194 296 452 -451 655 271 -736 579 -89 228 -687 -491 467 4 -1301 -128 -15 333 1077 -620 -358 -545 735 129 -57 180 -750 -175 399 113 236 446 299 -156 -37 -1392 -534 -673 119 -18 -409 -315 -464 -230 -271 -314 -477 -172 -463 752 72 848 -445 691 1061 -18 1530 -166 338 13 1278 354 1475 727 172 782 -716 -447 -217 809 448 619 109 1 48 -632 46 -287 210 -852 -646 -1158 -2158 -1740 -1605 93 35 297 525 360 -446 -439 194 -402 581 260 1503 957 505 67 -1011 -764 -487 581 -910 -1030 -1045 -510 -98 1197 1230 532 1145 -79 211 225 -102 630 452 -552 -419 54 -419 1207 125 -53 217 -133 297 -335 352 -1275 -694 -179 -861 160 171 530 0 176 -12 88 SS 20250805T134623.9Z 9348.573888 181 1 30.64 2 60.96 80.68 162.21 233.56 0.00 1 0.00 1 0 17 1.741e-02 6.643e-03 1.681e-02 4.662e-03 2.518105e-01 2.504493e-03 2.737931e-03 -6.000000e+00 1.066176e-02 227.36 -2.00 3.11 -2.00 317.59 0.00e+00 4.438306e-04 4.010569e-04 2.632083e-04 -6.000000e+00 4.868856e-04 293.75 -2.00 20.00 -2.00 316.69 0.00e+00 2.051 0.000 302.00 328.00 3 6.3486e+00 6.6193e-03 2.2879e-02 -6.0000e+00 2.6342e-02 1.7515e-02 7.4419e-03 1.1680e-02 -6.0000e+00 2.8306e-02 1.1861e-02 4.5197e-03 5.7050e-03 -6.0000e+00 1.6994e-02 -9.8905e-03 2.2772e-03 1.6034e-03 -6.0000e+00 7.4144e-03 9.3981e-05 -5.3080e-04 1.5163e-04 2.0892e-05 -6.0000e+00 5.3724e-04 -7.1383e-02 7.1194e-05 11 8 0 10 0 0 99.98 19.85 0.20 -0.07138 -0.07537 9 9 1 5 0 3403.230 26.00 19.98 19.85 33.79 40.6 986.00 -3087 -4084 6271 -1266 -516 -4079 8059 -4613 2564 3190 -6355 -913 -5086 2616 -3123 1206 -1689 1458 1244 -371 532 -1038 768 4043 -1536 4155 -1859 11 -1258 -892 836 2696 660 227 -3117 -67 -1771 -410 -994 -1684 -463 -284 79 -102 1005 -380 -2149 -695 -2043 -1064 213 1973 -101 1170 -798 405 1046 -20 -516 623 1523 1946 2027 987 1326 225 -438 -67 641 130 727 71 178 1306 548 -462 1010 -985 -439 -1472 -852 -1442 -1807 -1297 -858 -344 -544 783 -183 169 306 -316 -256 -194 51 -54 1013 -70 574 -414 -229 -71 -393 -447 -684 -665 -1340 342 538 249 408 335 346 -426 -419 665 617 568 384 236 16 244 -472 -235 -272 568 47 767 451 446 -77 -305 28 -770 -16 -390 69 516 461 -439 46 -558 -288 -424 611 -128 -48 -370 671 -478 275 360 -798 -112 -706 383 -546 223 -340 296 263 -82 120 -240 177 942 -397 1057 -500 3 -310 -214 203 692 185 66 -911 -19 -531 -139 -395 -770 -230 -149 42 -56 545 -208 -1181 -370 -1087 -564 115 1115 -61 734 -526 270 704 -14 -349 417 1036 1388 1545 796 1075 177 -325 -48 480 107 637 65 165 1173 471 -371 740 -702 -318 -1167 -738 -1361 -1817 -1360 -942 -397 -658 964 -227 206 354 -344 -261 -191 52 -59 1183 -89 759 -553 -294 -86 -462 -532 -854 -872 -1834 480 783 379 644 534 541 -642 -597 898 827 780 553 355 25 377 -719 -349 -390 780 62 1017 621 645 -116 -473 45 -1257 -27 -684 124 935 841 -798 82 -970 SS 20250805T135139.2Z 9348.577537 184 1 27.53 2 59.74 80.99 163.15 231.67 0.00 1 0.00 1 0 17 2.697e-02 1.008e-02 2.811e-02 7.873e-03 2.394187e-01 4.228979e-03 2.644591e-03 -6.000000e+00 1.653049e-02 227.36 -2.00 3.11 -2.00 317.56 0.00e+00 7.234638e-04 6.729980e-04 3.431155e-04 -6.000000e+00 7.548187e-04 293.75 -2.00 20.00 -2.00 316.66 0.00e+00 1.976 0.000 302.00 328.00 3 6.9587e+00 1.1165e-02 2.1991e-02 -6.0000e+00 4.0842e-02 3.5031e-02 1.2548e-02 1.1163e-02 -6.0000e+00 4.3875e-02 3.0317e-02 7.5970e-03 5.4663e-03 -6.0000e+00 2.6341e-02 -2.0154e-02 3.8233e-03 1.5437e-03 -6.0000e+00 1.1502e-02 5.5134e-05 -1.3723e-05 2.5689e-04 2.0178e-05 -6.0000e+00 8.3228e-04 -7.3006e-02 2.2475e-04 12 9 9 12 9 1 99.99 19.85 0.33 -0.07301 -0.07311 8 10 1 5 0 3058.200 26.00 20.03 19.85 34.09 40.7 986.01 -6896 6516 -4860 3465 -1595 5959 8654 -1766 7313 -910 -10468 1355 -1335 -988 6299 -15065 581 505 3349 -240 748 -1530 -206 2300 2055 6129 -454 3505 819 -672 5458 -498 2594 -4081 -6160 -4027 -1072 766 1462 1589 -4578 31 -1714 -831 -22 -247 -331 -944 1223 -921 857 -826 2491 204 700 -6 866 1070 -1567 1534 117 2157 1631 1865 1243 -113 -450 -225 1245 -263 2607 879 287 73 -398 -13 -312 47 -2256 -722 -849 -688 -656 -2063 -1794 -1258 -506 19 1080 -483 1204 -264 -152 893 -54 1126 515 198 -372 -392 -304 -257 -1008 -626 -337 -2757 -835 -303 1138 251 492 1038 482 182 126 -580 934 -446 1327 -275 299 -522 60 130 619 -509 676 623 2556 -635 -858 -927 123 133 -361 947 83 -374 -179 230 -224 -662 -683 628 -542 345 -154 506 734 -182 765 -109 -1395 165 -181 -151 1020 -3283 116 105 702 -54 171 -360 -48 550 518 1543 -122 874 200 -162 1275 -132 715 -1234 -1857 -1169 -319 256 569 708 -2371 16 -945 -461 -12 -136 -181 -509 636 -489 463 -480 1483 129 456 -4 586 723 -1076 1022 81 1543 1256 1504 1017 -89 -335 -162 922 -215 2252 807 268 66 -346 -11 -230 33 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