File name: Pandora141s1_Calakmul_20250118_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250119T174237.9Z 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 v1.8.70 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250118_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: 20250118 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 20250118T164232.2Z 9149.696206 8 1 4.42 2 44.28 150.63 103.67 277.10 0.00 1 0.00 1 0 17 8.775e-03 6.811e-03 3.920e-03 2.862e-03 1.572617e-01 1.542513e-03 1.755871e-03 -6.000000e+00 5.278692e-03 224.53 -2.00 3.11 -2.00 314.58 0.00e+00 3.925753e-04 1.275589e-04 3.622339e-05 -6.000000e+00 2.415918e-04 290.46 -2.00 20.00 -2.00 313.95 0.00e+00 1.395 0.000 302.00 328.00 3 4.7587e+00 3.9001e-03 1.5187e-02 -6.0000e+00 1.2969e-02 3.8454e-02 4.3136e-03 7.1970e-03 -6.0000e+00 1.4012e-02 2.8395e-03 2.4849e-03 3.5363e-03 -6.0000e+00 8.4121e-03 -4.5732e-03 1.0995e-03 1.0182e-03 -6.0000e+00 3.6420e-03 1.0277e-03 5.2618e-04 9.0401e-05 1.6183e-05 -6.0000e+00 2.7124e-04 -1.1107e-02 1.0360e-04 12 9 1 12 9 1 96.17 21.11 0.22 -0.01111 -0.00715 4 68 1 5 0 883.340 27.15 19.97 21.11 32.33 40.0 985.86 339 31 -981 -2339 -1698 -214 1950 96 1965 -2771 -345 -1024 1000 746 -1369 -269 -320 1618 -288 1310 -652 1029 1009 353 941 224 606 -620 325 1289 1606 2078 547 -537 -1892 -1464 -1682 -421 -424 -529 -1812 -304 -384 -779 -645 -654 -1149 -673 -717 51 300 976 871 747 154 1338 521 706 20 604 1673 1252 1863 810 529 -84 -142 338 531 927 138 341 452 475 -583 -60 -546 -660 -888 -1155 -1459 -1865 -1563 -1632 -492 -550 -317 -14 171 -87 -119 229 -214 591 -81 665 811 307 125 -611 -784 -293 405 -681 -377 -348 -809 -153 503 1034 182 362 33 374 564 -97 443 206 44 -39 -63 -298 35 6 164 445 754 1025 320 172 90 -232 -54 61 -307 -375 183 13 43 -391 -181 -536 127 12 -381 -867 -585 -71 666 36 765 -1132 -138 -419 429 345 -685 -139 -168 853 -157 715 -363 567 562 203 553 134 354 -351 176 682 866 1158 316 -311 -1074 -834 -1019 -280 -310 -416 -1499 -255 -326 -665 -548 -551 -953 -545 -573 41 244 817 750 656 138 1199 470 635 18 544 1534 1194 1835 814 522 -80 -128 304 497 915 143 357 473 485 -574 -56 -481 -571 -791 -1091 -1460 -1958 -1693 -1824 -567 -657 -388 -17 210 -105 -137 250 -224 609 -86 740 948 375 155 -753 -934 -336 460 -799 -458 -435 -1040 -200 674 1416 254 500 44 481 695 -117 536 256 57 -52 -85 -400 47 8 206 542 901 1232 396 219 116 -305 -72 83 -430 -537 265 20 63 -569 -258 -759 SS 20250118T165123.5Z 9149.702355 14 1 20.02 2 43.29 153.27 105.70 277.82 0.00 1 0.00 1 0 17 7.354e-03 5.964e-03 1.609e-04 1.144e-04 1.524607e-01 6.163776e-05 1.699076e-03 -6.000000e+00 4.430992e-03 224.53 -2.00 3.11 -2.00 314.71 0.00e+00 2.763088e-04 5.200994e-06 3.812217e-05 -6.000000e+00 2.025138e-04 290.46 -2.00 20.00 -2.00 314.06 0.00e+00 1.372 0.000 302.00 328.00 3 7.5940e-02 1.5610e-04 1.4885e-02 -6.0000e+00 1.0887e-02 -1.2024e-03 1.7266e-04 6.9626e-03 -6.0000e+00 1.1755e-02 4.8643e-03 9.9353e-05 3.4260e-03 -6.0000e+00 7.0570e-03 -5.0069e-03 4.4226e-05 9.7788e-04 -6.0000e+00 3.0630e-03 1.1613e-01 7.2612e-06 3.6217e-06 1.5492e-05 -6.0000e+00 2.2720e-04 -2.7936e-02 -3.3612e-06 10 0 0 10 0 0 99.88 20.52 0.19 -0.02794 -0.02788 2715 2715 1 5 0 7.330 26.62 20.01 20.52 33.63 38.0 985.65 219 -489 -1071 -1873 -1741 -881 348 1114 626 -843 -1131 -639 -88 308 146 -230 -40 477 536 613 592 762 859 970 983 486 -57 -73 658 984 1471 1851 760 -1002 -1866 -1636 -1384 -353 -341 -956 -1109 -939 -748 -669 -520 -621 -840 -731 -298 193 474 737 815 603 481 714 509 225 401 693 1166 1432 1476 798 192 -283 -250 409 1025 872 288 296 302 189 74 -179 -546 -393 -518 -758 -1304 -1764 -1815 -1534 -977 -560 -276 34 -26 199 169 126 171 640 495 555 534 215 -72 -355 -617 -545 132 -79 -645 -683 -635 -183 267 590 386 256 108 74 301 516 567 552 240 -140 -109 -188 -79 161 228 286 580 686 422 238 -193 -281 -80 76 -123 -113 79 -116 -90 -216 -252 -381 76 -180 -393 -696 -584 -281 115 402 246 -319 -424 -243 -36 139 67 -113 -20 243 280 328 320 410 467 547 577 292 -33 -41 339 527 745 983 425 -567 -1020 -889 -817 -224 -238 -758 -894 -786 -636 -571 -441 -519 -683 -572 -240 154 390 599 694 533 435 618 444 196 365 633 1037 1351 1479 785 184 -267 -230 367 917 862 292 311 316 191 73 -171 -477 -327 -448 -722 -1301 -1817 -1984 -1677 -1133 -658 -340 42 -33 239 197 140 175 670 514 624 625 260 -90 -437 -754 -623 147 -92 -768 -860 -835 -239 362 797 537 353 148 99 368 629 692 705 312 -185 -148 -255 -104 212 285 356 693 823 532 300 -253 -376 -109 102 -174 -160 116 -172 -134 -317 -360 -555 SS 20250118T165143.7Z 9149.702589 14 2 20.12 2 43.26 153.37 105.78 277.85 0.00 1 0.00 1 0 17 7.331e-03 5.945e-03 1.521e-04 1.092e-04 1.522158e-01 5.890879e-05 1.696295e-03 -6.000000e+00 4.417055e-03 224.53 -2.00 3.11 -2.00 314.68 0.00e+00 2.774086e-04 4.962840e-06 3.700478e-05 -6.000000e+00 2.018797e-04 290.46 -2.00 20.00 -2.00 314.04 0.00e+00 1.371 0.000 302.00 328.00 3 -4.1702e-03 1.4910e-04 1.4873e-02 -6.0000e+00 1.0853e-02 -2.5249e-03 1.6467e-04 6.9501e-03 -6.0000e+00 1.1718e-02 5.3060e-03 9.4888e-05 3.4204e-03 -6.0000e+00 7.0349e-03 -5.1689e-03 4.2290e-05 9.7698e-04 -6.0000e+00 3.0533e-03 1.2601e-01 -1.0897e-04 3.4559e-06 1.5689e-05 -6.0000e+00 2.2649e-04 -2.7968e-02 -1.7388e-05 10 0 0 10 0 0 93.58 20.48 0.19 -0.02797 -0.02879 2715 2715 1 5 0 7.330 26.62 20.02 20.48 33.64 37.9 985.61 213 -531 -1065 -1891 -1784 -821 280 1157 587 -845 -1172 -620 -24 267 176 -195 -63 440 495 612 605 764 874 968 975 494 -94 -53 637 990 1482 1825 729 -1008 -1855 -1636 -1352 -326 -315 -912 -1115 -936 -762 -673 -520 -604 -812 -727 -291 180 466 737 841 629 497 678 550 235 405 688 1180 1452 1491 790 188 -282 -261 394 1007 852 299 285 341 162 50 -189 -522 -427 -532 -756 -1290 -1728 -1812 -1521 -969 -564 -277 22 -26 201 176 119 175 613 488 575 516 220 -83 -344 -606 -540 129 -65 -632 -680 -624 -216 274 584 400 250 116 78 286 513 571 568 227 -148 -92 -169 -86 163 242 284 582 651 407 238 -179 -279 -86 65 -116 -100 73 -114 -104 -223 -269 -382 76 -202 -402 -666 -616 -269 95 429 219 -328 -453 -242 -10 124 84 -98 -33 231 266 336 335 422 489 561 550 285 -53 -30 338 506 771 997 419 -587 -1043 -915 -820 -212 -225 -700 -924 -761 -630 -557 -428 -491 -680 -585 -226 139 372 617 695 539 436 603 494 210 358 610 1079 1335 1456 800 186 -274 -234 344 927 821 312 293 349 169 49 -176 -469 -366 -473 -699 -1254 -1830 -1936 -1711 -1102 -682 -335 27 -33 248 201 130 185 626 520 632 592 273 -102 -417 -726 -636 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