File name: Pandora141s1_Calakmul_20250615_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250619T231947.6Z 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_20250615_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: 20250615 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 20250615T124822.8Z 9297.533597 267 1 29.10 2 71.64 70.82 62.59 234.30 0.00 1 0.00 1 0 17 1.104e-01 7.964e-03 9.008e-02 6.429e-03 3.858067e-01 3.506197e-03 4.166096e-03 -6.000000e+00 6.768354e-02 228.64 -2.00 3.11 -2.00 319.48 0.00e+00 1.204631e-03 9.835778e-04 6.573674e-04 -6.000000e+00 3.087291e-03 293.85 -2.00 20.00 -2.00 318.62 0.00e+00 3.133 0.000 302.00 328.00 3 5.5375e+00 9.9949e-03 3.5214e-02 -6.0000e+00 1.6771e-01 -1.9485e-02 1.1828e-02 1.8452e-02 -6.0000e+00 1.8029e-01 2.1665e-02 8.7330e-03 9.0513e-03 -6.0000e+00 1.0811e-01 -1.4594e-02 4.5730e-03 2.5303e-03 -6.0000e+00 4.6837e-02 6.3857e-05 -1.4994e-03 2.1092e-04 3.3786e-05 -6.0000e+00 3.4119e-03 -4.9760e-02 -2.0208e-04 11 8 0 10 0 0 99.99 19.88 0.18 -0.04976 -0.06103 13 13 1 5 0 2237.770 26.11 20.02 19.88 32.48 38.4 985.37 -38036 -55870 34350 16191 59386 -34384 -3449 -33340 48301 -19886 1517 -15281 2471 -10797 -1617 28356 4441 10451 1004 8871 3509 5 -4582 -2358 -4617 -316 -376 -1044 2788 -4145 2469 5078 1101 -5378 -5606 5558 -11421 -1995 -4285 -1217 -2443 962 -1046 1795 1387 -3089 -399 -52 -2033 947 -387 1441 1422 2453 2488 2053 751 -1374 539 8 441 2945 3784 2984 -304 -1058 -1333 98 337 555 -80 1349 -146 1975 -610 2634 -207 -1735 -446 131 -2019 -1962 -752 -1496 -323 -632 -761 1204 -486 127 -816 837 -757 1195 14 -316 667 708 514 -848 -252 -931 -53 -1042 -1337 -906 -261 -437 -17 178 1142 209 111 -318 797 134 581 718 702 -386 -445 -75 36 209 -91 -9 381 1353 429 670 -438 -620 233 41 -711 -135 -96 -163 24 80 159 -151 -1107 -2153 601 326 755 -1014 -81 -1157 875 -721 47 -592 93 -546 -88 1310 279 663 74 632 271 0 -401 -215 -459 -31 -38 -102 257 -416 252 566 140 -755 -776 695 -1819 -340 -886 -283 -635 258 -298 508 398 -932 -117 -15 -616 288 -127 503 533 964 1020 873 329 -616 235 3 199 1396 1941 1642 -175 -594 -721 53 193 351 -55 955 -105 1345 -399 1541 -115 -966 -260 85 -1492 -1593 -648 -1370 -310 -644 -812 1297 -531 134 -823 781 -678 1051 14 -328 756 873 669 -1114 -315 -1097 -59 -1201 -1626 -1156 -346 -607 -25 277 1844 347 181 -501 1183 192 832 1061 1087 -627 -734 -122 58 323 -136 -13 536 1917 647 1079 -748 -1096 421 76 -1405 -276 -201 -347 50 167 321 -297 SS 20250615T133620.4Z 9297.566903 300 1 29.85 2 60.83 73.10 71.84 240.74 0.00 1 0.00 1 0 17 2.652e-02 6.660e-03 2.462e-02 5.830e-03 2.606920e-01 3.142065e-03 2.831738e-03 -6.000000e+00 1.628533e-02 228.64 -2.00 3.11 -2.00 318.01 0.00e+00 -7.092844e-04 5.557045e-04 2.602179e-04 -6.000000e+00 7.420921e-04 293.85 -2.00 20.00 -2.00 317.08 0.00e+00 2.042 0.000 302.00 328.00 3 6.2792e+00 8.4108e-03 2.3141e-02 -6.0000e+00 4.0352e-02 7.4576e-03 9.5136e-03 1.2360e-02 -6.0000e+00 4.3363e-02 2.1125e-02 5.8778e-03 5.9430e-03 -6.0000e+00 2.6004e-02 -1.4126e-02 2.9769e-03 1.8872e-03 -6.0000e+00 1.1280e-02 1.0033e-04 -3.8433e-04 1.9179e-04 2.3457e-05 -6.0000e+00 8.1943e-04 -5.4097e-02 -3.6009e-05 11 9 0 11 8 0 100.00 19.89 0.40 -0.05410 -0.05698 44 44 1 5 0 678.200 26.11 19.99 19.89 33.98 38.8 985.92 -7341 7386 5840 -3296 373 -9898 19182 -5202 3317 1324 -4398 569 -6807 3633 -3346 -255 -2879 979 -3348 -841 6128 116 -767 136 957 -2733 1199 595 873 883 2223 5324 2482 2626 -18 -943 -753 1310 -3465 -874 -1497 -1420 31 -1553 -1297 -1342 -828 -1253 324 88 -1195 935 377 688 -417 1534 1304 743 1482 1024 2626 711 1689 1650 937 -1483 -910 655 948 -80 361 94 465 330 -148 -138 -417 773 55 -1483 -215 -1245 -1388 -1926 -738 -436 -675 -98 -53 500 -795 390 357 1060 621 513 1097 -265 472 -78 -426 -1260 -278 -661 -123 -725 -941 478 -100 883 108 463 16 109 50 603 1020 273 -338 -102 -238 90 -195 -126 2 213 273 879 183 346 -585 -207 115 -91 309 -299 -204 -255 8 -157 290 -85 -606 580 477 -280 28 -798 1241 -470 306 131 -467 60 -840 460 -509 -41 -503 172 -634 -161 1127 23 -155 29 213 -652 274 131 183 182 470 1178 603 651 -5 -234 -201 396 -1289 -363 -684 -684 15 -779 -649 -669 -405 -604 152 42 -601 490 211 401 -254 940 814 466 915 634 1649 482 1217 1245 712 -1095 -630 440 671 -63 305 83 410 283 -120 -103 -288 507 38 -1128 -179 -1139 -1354 -1985 -797 -497 -808 -120 -65 592 -898 406 347 1002 613 549 1277 -338 626 -104 -540 -1513 -320 -781 -153 -953 -1292 676 -148 1368 175 754 26 165 71 815 1367 381 -499 -157 -377 142 -301 -188 2 293 363 1169 256 511 -909 -329 186 -154 540 -547 -383 -487 15 -296 532 -151 SS 20250615T134452.1Z 9297.572825 306 1 23.53 2 58.89 73.44 73.55 241.74 0.00 1 0.00 1 0 17 9.644e-03 5.544e-03 7.601e-03 2.665e-03 2.426368e-01 1.435379e-03 2.608093e-03 -6.000000e+00 5.921869e-03 228.64 -2.00 3.11 -2.00 317.05 0.00e+00 5.195122e-04 2.002825e-04 8.886807e-05 -6.000000e+00 2.698205e-04 293.85 -2.00 20.00 -2.00 316.16 0.00e+00 1.928 0.000 302.00 328.00 3 5.3802e+00 3.7656e-03 2.1682e-02 -6.0000e+00 1.4673e-02 1.0336e-02 4.2082e-03 1.1218e-02 -6.0000e+00 1.5768e-02 7.9365e-03 2.4897e-03 5.4686e-03 -6.0000e+00 9.4559e-03 -7.7778e-03 1.2182e-03 1.5567e-03 -6.0000e+00 4.1018e-03 2.8296e-04 2.0109e-05 8.5627e-05 2.0253e-05 -6.0000e+00 2.9793e-04 -5.3795e-02 -5.4572e-06 12 1 1 12 1 1 99.99 19.89 0.22 -0.05379 -0.05364 17 23 1 5 0 1306.240 26.11 20.02 19.89 34.24 38.7 985.94 -1041 -905 708 -1608 -2970 -974 789 -2246 784 -3367 -1938 144 237 787 1189 612 -2843 882 -88 -810 1707 -340 2162 1017 1346 -1414 62 -1697 1628 1772 1458 1485 64 -1754 -3013 -1630 -131 166 -27 -266 -1113 -1127 -15 88 -667 -286 -730 -716 -489 260 -415 388 547 880 687 608 418 96 281 679 1167 789 1269 1178 343 -91 287 421 1131 1070 283 150 246 465 -111 65 -230 -231 156 -1031 -1172 -1552 -1700 -1834 -1376 -452 -687 242 -155 360 455 441 -353 589 497 697 692 47 224 -118 -385 -772 315 -30 -444 -887 -726 76 108 445 264 272 -218 -63 362 42 420 436 328 -57 18 -99 -148 144 -232 356 515 858 229 69 -242 -81 -320 133 260 -32 41 17 -39 -233 -86 -474 -127 -120 94 -209 -361 -111 92 -299 112 -520 -299 23 40 151 254 143 -719 224 -23 -222 468 -95 603 299 413 -457 20 -526 469 501 429 467 22 -612 -1035 -550 -47 67 -13 -140 -635 -671 -9 54 -411 -175 -442 -426 -287 153 -254 249 366 610 490 442 307 71 206 495 870 620 1053 1014 297 -76 226 325 911 931 264 144 237 437 -99 54 -180 -175 121 -875 -1080 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