File name: Pandora141s1_Calakmul_20250224_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250225T061508.1Z 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 v1.8.74 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250224_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: 20250224 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 20250224T142145.6Z 9186.598444 180 1 1.39 2 62.95 111.21 47.56 163.77 0.00 1 0.00 1 0 17 1.255e-02 6.516e-03 8.167e-03 3.715e-03 2.535783e-01 1.993756e-03 2.769893e-03 -6.000000e+00 7.615214e-03 225.85 -2.00 3.11 -2.00 316.38 0.00e+00 4.478499e-04 2.366960e-04 1.413403e-04 -6.000000e+00 3.464594e-04 290.82 -2.00 20.00 -2.00 315.58 0.00e+00 2.187 0.000 302.00 328.00 3 3.1863e+00 5.1461e-03 2.3985e-02 -6.0000e+00 1.8766e-02 1.4457e-02 5.7282e-03 1.1586e-02 -6.0000e+00 2.0224e-02 2.7428e-03 3.3379e-03 5.6868e-03 -6.0000e+00 1.2131e-02 -4.9146e-03 1.5882e-03 1.6113e-03 -6.0000e+00 5.2697e-03 1.9623e-03 -9.9325e-04 1.1769e-04 2.2505e-05 -6.0000e+00 3.8739e-04 -4.9145e-02 -1.1663e-04 12 9 1 12 9 1 85.47 19.90 0.13 -0.04914 -0.05661 4 217 1 5 0 276.080 26.00 19.99 19.90 32.81 39.2 985.09 -4088 2002 -2103 -3115 -3038 -4827 353 -1303 -1247 -3838 -2881 -5119 -145 969 -717 -156 -1062 3094 1174 -345 -47 399 -348 1664 2757 453 1921 -226 1290 747 961 2342 623 -170 -2297 -845 -1009 353 56 -768 -1022 -830 -560 -768 114 -809 -420 -1581 -11 175 365 1869 321 1558 238 279 627 54 427 258 1771 2003 1768 329 606 -821 -229 306 736 647 -94 440 191 -507 54 95 -13 14 -51 -533 -1027 -1577 -1784 -1561 -578 -369 -715 -353 69 493 -258 -69 68 772 -283 147 918 -225 -239 -285 -480 -572 278 -61 -885 -734 -856 -637 176 189 534 308 102 -210 207 636 801 864 628 -119 189 210 375 428 28 750 469 381 688 270 -124 -324 -8 -360 43 -332 -115 75 -127 98 -700 -462 -699 351 -389 -558 -505 -786 57 -235 -244 -799 -602 -1123 -33 245 -203 -47 -338 985 390 -119 -17 140 -124 609 1042 178 744 -86 468 269 358 915 259 -72 -968 -351 -443 171 30 -462 -654 -549 -378 -523 77 -550 -282 -1057 -7 116 248 1312 236 1172 185 220 497 43 336 204 1414 1662 1540 297 547 -723 -193 255 633 593 -91 435 189 -495 50 84 -11 11 -43 -478 -987 -1606 -1895 -1712 -654 -433 -867 -434 85 593 -300 -76 71 803 -304 166 1094 -285 -311 -369 -604 -692 327 -73 -1105 -947 -1137 -867 245 272 787 456 148 -296 280 835 1048 1155 869 -171 274 304 535 599 39 994 611 498 924 377 -179 -474 -13 -546 66 -533 -187 124 -210 160 -1131 -731 SS 20250224T142639.1Z 9186.601842 183 1 60.04 2 61.87 111.82 47.25 165.15 0.00 1 0.00 1 0 17 7.804e-03 5.392e-03 6.531e-04 2.350e-04 2.451787e-01 1.251113e-04 2.666887e-03 -6.000000e+00 4.740310e-03 225.85 -2.00 3.11 -2.00 317.02 0.00e+00 3.209415e-04 1.732954e-05 1.598454e-04 -6.000000e+00 2.155538e-04 290.82 -2.00 20.00 -2.00 316.18 0.00e+00 2.110 0.000 302.00 328.00 3 1.5141e+00 3.2668e-04 2.3173e-02 -6.0000e+00 1.1682e-02 -3.2407e-03 3.6563e-04 1.1247e-02 -6.0000e+00 1.2586e-02 4.5564e-03 2.1688e-04 5.5165e-03 -6.0000e+00 7.5499e-03 -6.1619e-03 1.0610e-04 1.5591e-03 -6.0000e+00 3.2816e-03 1.1486e-02 -1.7320e-04 7.5344e-06 2.0737e-05 -6.0000e+00 2.4095e-04 -5.1118e-02 -2.4803e-05 10 0 0 10 0 0 99.97 19.90 0.16 -0.05112 -0.05242 2601 2601 1 5 0 23.050 26.11 20.00 19.90 33.36 39.3 985.09 332 -330 -1078 -2387 -2222 -1466 -625 563 84 -1118 -1594 -1188 -408 39 32 -334 -242 112 492 389 431 743 808 1036 1014 525 -152 -372 213 672 1241 1707 968 -929 -2008 -1987 -1626 -525 -274 -831 -1014 -845 -682 -622 -535 -471 -751 -722 -448 37 378 698 880 624 528 697 592 248 401 657 1191 1580 1725 1068 304 -148 -203 315 1091 1054 413 330 338 160 79 -213 -548 -478 -549 -676 -1217 -1674 -1883 -1559 -1004 -558 -276 115 46 220 275 198 207 568 473 525 539 244 -118 -404 -657 -677 13 -56 -669 -745 -691 -304 195 567 397 217 97 47 275 511 595 567 244 -176 -152 -172 -65 134 191 167 511 661 391 151 -213 -330 -150 107 -90 -65 126 -32 -49 -182 -188 -287 42 -46 -153 -326 -277 -173 -77 76 13 -177 -256 -196 -74 8 7 -78 -59 28 129 105 119 205 227 304 314 169 -49 -114 61 189 362 533 325 -324 -685 -671 -591 -219 -125 -438 -587 -515 -426 -393 -337 -296 -464 -436 -266 22 234 459 612 423 370 498 430 180 287 470 875 1235 1449 948 271 -124 -160 242 882 945 378 315 324 148 73 -180 -424 -354 -423 -577 -1089 -1652 -1994 -1632 -1115 -659 -343 138 59 270 314 222 214 571 497 604 643 300 -154 -522 -853 -818 15 -67 -853 -950 -923 -424 285 826 605 333 145 69 375 700 809 755 347 -266 -222 -264 -98 193 261 231 679 882 552 214 -317 -507 -236 166 -147 -111 209 -54 -84 -305 -321 -476 SS 20250224T145056.0Z 9186.618703 199 1 9.32 2 56.59 115.11 46.11 172.25 0.00 1 0.00 1 0 17 7.973e-03 6.006e-03 2.261e-03 1.293e-03 2.123733e-01 6.973252e-04 2.336229e-03 -6.000000e+00 4.843124e-03 225.85 -2.00 3.11 -2.00 315.65 0.00e+00 2.794527e-04 7.057302e-05 7.435014e-05 -6.000000e+00 2.202247e-04 290.82 -2.00 20.00 -2.00 314.91 0.00e+00 1.810 0.000 302.00 328.00 3 3.5931e+00 1.7849e-03 1.9917e-02 -6.0000e+00 1.1935e-02 1.8223e-02 1.9785e-03 9.7086e-03 -6.0000e+00 1.2859e-02 2.0383e-03 1.1412e-03 4.7714e-03 -6.0000e+00 7.7136e-03 -4.2379e-03 5.2568e-04 1.3537e-03 -6.0000e+00 3.3529e-03 2.0004e-03 -3.5657e-04 4.0951e-05 1.9945e-05 -6.0000e+00 2.4616e-04 -5.1450e-02 -3.1027e-05 12 1 1 12 9 1 94.81 19.90 0.19 -0.05145 -0.05413 26 174 1 5 0 344.810 26.00 20.02 19.90 34.24 39.5 985.08 480 -187 -573 -2913 -1444 -1785 103 847 630 -814 -2072 -671 -366 745 315 139 -180 211 888 248 885 513 957 809 643 678 452 -408 437 1137 1074 1834 941 -691 -1773 -2146 -1239 -794 -805 -661 -1106 -704 -985 -528 -464 -625 -991 -825 -256 237 -96 699 963 743 708 566 698 91 559 698 1336 1324 1614 837 237 -61 -257 368 1035 1141 119 406 474 269 -164 -137 -513 -303 -641 -531 -1341 -1659 -1915 -1587 -1011 -621 -306 34 129 222 338 89 318 391 454 688 525 90 96 -380 -686 -717 48 82 -864 -858 -656 -128 319 560 486 183 82 -20 219 472 625 622 260 -52 -175 -281 -84 159 210 140 679 649 540 94 -185 -287 -2 30 -207 -137 239 -22 3 -184 -283 -462 114 -48 -148 -734 -334 -398 23 208 167 -226 -584 -191 -111 246 113 53 -72 86 367 105 380 221 416 363 299 322 213 -188 192 488 471 839 452 -339 -856 -1032 -622 -440 -498 -446 -791 -519 -740 -398 -349 -469 -736 -603 -184 170 -71 532 757 601 583 473 587 77 468 584 1135 1169 1484 794 225 -56 -226 317 919 1074 119 413 484 270 -159 -125 -445 -256 -552 -485 -1308 -1710 -2054 -1754 -1154 -734 -372 42 159 269 394 99 337 407 484 769 620 113 122 -485 -851 -855 57 98 -1066 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