File name: Pandora141s1_Calakmul_20250402_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250403T060312.5Z 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_20250402_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: 20250402 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 20250402T132738.1Z 9223.560857 87 1 59.94 2 67.89 91.97 110.26 51.30 0.00 1 0.00 1 0 25 4.922e-02 9.077e-03 3.923e-02 6.339e-03 3.193576e-01 3.426320e-03 3.422504e-03 -6.000000e+00 3.021044e-02 228.63 -2.00 3.11 -2.00 318.64 0.00e+00 1.105906e-03 7.296155e-04 3.510289e-04 -6.000000e+00 1.364857e-03 291.74 -2.00 20.00 -2.00 317.78 0.00e+00 2.633 0.000 302.00 328.00 3 6.3021e+00 9.3401e-03 2.9403e-02 -6.0000e+00 7.4914e-02 8.7767e-02 1.0682e-02 1.4925e-02 -6.0000e+00 8.0547e-02 1.4133e-02 7.0063e-03 7.3256e-03 -6.0000e+00 4.8234e-02 -1.5317e-02 3.6348e-03 2.1162e-03 -6.0000e+00 2.0865e-02 4.9042e-05 -9.5856e-04 2.0809e-04 2.7117e-05 -6.0000e+00 1.5210e-03 -5.2776e-02 -8.3852e-05 11 8 0 10 0 0 99.98 19.88 0.46 -0.05278 -0.05998 49 49 1 5 0 1223.080 26.11 20.01 19.88 32.28 37.4 980.80 2857 4144 -39584 10266 4872 -6923 -11053 -18276 -8356 3822 -12120 1778 -5703 4778 -9889 6139 -2109 -1568 3366 -1711 -40 542 -7099 5958 64 10055 9113 -2200 9762 -5905 4728 354 433 -1358 -554 724 -4897 872 -2096 -2093 715 -276 -1367 -1545 114 -44 2531 1365 710 -1673 2539 2603 -54 -65 2684 407 685 -1937 -1883 1449 2201 622 4119 735 420 990 -1692 -1646 -1145 1420 626 1305 1563 -343 -1324 -505 -2039 -3054 -1103 -499 -562 -1701 -1817 -1481 -912 342 -273 505 1486 572 1226 -335 -829 435 -964 -135 117 1189 735 -757 114 -1665 -1161 -1196 -685 -238 -710 339 480 838 606 178 27 -136 268 357 566 337 -233 -561 224 -667 598 344 616 148 1124 -393 -320 -306 -880 100 -474 675 107 -175 560 291 209 -180 -105 -899 131 207 -3066 485 225 -344 -597 -1171 -539 232 -874 119 -457 402 -1094 649 -258 -201 431 -239 -6 77 -1102 862 10 1534 1401 -363 1390 -973 748 64 85 -278 -110 141 -1084 212 -617 -707 259 -107 -552 -635 47 -18 1001 540 282 -693 1064 1167 -26 -33 1394 222 378 -1094 -1053 785 1221 373 2588 504 291 652 -1083 -1044 -767 1025 492 1062 1272 -274 -1003 -348 -1316 -1929 -715 -356 -448 -1500 -1715 -1469 -953 375 -315 595 1731 653 1310 -338 -785 402 -946 -144 137 1498 978 -1016 145 -2005 -1339 -1404 -844 -308 -965 477 710 1307 990 296 44 -211 390 495 782 482 -353 -889 359 -1071 927 518 888 205 1502 -536 -460 -468 -1420 164 -807 1181 197 -335 1096 580 417 -354 -201 -1676 SS 20250402T134400.0Z 9223.572223 92 1 1.10 2 64.01 93.35 107.32 53.26 0.00 1 0.00 1 0 17 1.524e-02 7.423e-03 1.318e-02 5.220e-03 2.764941e-01 2.830450e-03 2.979644e-03 -6.000000e+00 9.364615e-03 228.63 -2.00 3.11 -2.00 316.68 0.00e+00 -4.045466e-04 3.573767e-04 2.426068e-04 -6.000000e+00 4.226354e-04 291.74 -2.00 20.00 -2.00 315.84 0.00e+00 2.268 0.000 302.00 328.00 3 3.3062e+00 7.3788e-03 2.5283e-02 -6.0000e+00 2.3223e-02 1.2945e-02 8.2101e-03 1.2775e-02 -6.0000e+00 2.4962e-02 1.7032e-03 4.8117e-03 6.1848e-03 -6.0000e+00 1.4949e-02 -4.2159e-03 2.3159e-03 1.8249e-03 -6.0000e+00 6.4721e-03 1.5495e-03 -4.5490e-05 1.6565e-04 2.4450e-05 -6.0000e+00 4.7087e-04 -5.5541e-02 5.1767e-05 12 9 1 12 1 1 999.00 19.88 0.22 -0.05554 -0.05588 2 166 1 5 0 361.740 26.00 20.00 19.88 32.79 37.5 980.98 1896 -5880 -2270 -8540 1895 545 3610 3911 -60 -3979 -1192 2736 753 21 485 2513 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254 818 36 269 358 1252 -85 438 -530 -773 -836 -549 822 -1034 -1784 -362 -67 259 392 301 1151 -651 -250 53 1356 1330 770 550 -364 680 721 -184 238 313 -313 352 48 434 -1493 22 -454 263 724 549 -1432 575 32 -981 -72 -533 443 SS 20250402T135315.9Z 9223.578656 98 1 12.22 2 61.82 94.16 105.62 54.30 0.00 1 0.00 1 0 17 2.196e-02 7.843e-03 1.879e-02 5.826e-03 2.537022e-01 3.136084e-03 2.774088e-03 -6.000000e+00 1.348406e-02 228.63 -2.00 3.11 -2.00 317.34 0.00e+00 3.993767e-04 4.670692e-04 2.966454e-04 -6.000000e+00 6.089696e-04 291.74 -2.00 20.00 -2.00 316.48 0.00e+00 2.107 0.000 302.00 328.00 3 5.9562e+00 8.2724e-03 2.3481e-02 -6.0000e+00 3.3437e-02 2.1206e-02 9.2624e-03 1.1858e-02 -6.0000e+00 3.5948e-02 1.1865e-02 5.5504e-03 5.7586e-03 -6.0000e+00 2.1527e-02 -6.4312e-03 2.7478e-03 1.6069e-03 -6.0000e+00 9.3148e-03 1.3082e-04 -3.6089e-04 1.8806e-04 2.1281e-05 -6.0000e+00 6.7848e-04 -5.2439e-02 1.4247e-05 12 9 1 12 1 1 99.99 19.89 0.33 -0.05244 -0.05515 7 39 1 5 0 1526.370 26.11 19.99 19.89 33.04 37.7 980.99 -12321 6633 -9954 -7920 3988 3375 -271 -4501 -206 -1734 1621 281 2494 -2239 -1398 2063 -3566 83 4813 1507 -985 -3376 1859 4006 -2306 1828 -1365 287 1995 3964 2064 2155 3895 -1388 -4170 1933 -2341 -731 181 -1469 -1439 -1113 621 -366 1476 -231 63 -2501 -583 5 1445 136 717 -250 -304 922 369 93 -616 -229 2648 714 1596 801 198 -216 226 2 694 803 1002 642 295 109 1417 188 -825 -1379 -1240 -515 -1761 -2386 -1059 -454 -229 -400 -594 282 410 -463 -232 323 -437 1202 -773 18 44 682 598 449 -1095 -431 -373 -446 -559 -1101 -1062 -759 440 971 1116 343 -321 719 -626 1 905 -105 518 459 -182 126 684 -615 -275 410 843 390 334 1406 -594 -771 -202 104 8 -687 3 -259 463 -230 -251 -64 -1428 703 -1260 -941 392 320 -28 -530 -26 -229 211 38 365 -388 -270 421 -807 19 1086 362 -247 -872 466 1031 -660 520 -397 79 518 996 548 614 1164 -443 -1330 580 -780 -275 78 -728 -772 -624 352 -212 842 -133 36 -1427 -324 3 827 83 458 -167 -209 642 261 66 -436 -162 1875 540 1276 671 167 -174 173 1 545 683 908 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