File name: Pandora141s1_Calakmul_20240805_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20260427T091023.5Z 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 v1.8.88 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20240805_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: 20240805 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 20240805T123221.0Z 8983.522466 63 1 16.89 2 78.16 76.11 91.10 72.80 0.00 1 0.00 1 0 17 2.962e-01 1.369e-02 3.033e-01 1.242e-02 5.396733e-01 7.026282e-03 6.066751e-03 -6.000000e+00 1.813396e-01 227.35 -2.00 3.11 -2.00 320.57 0.00e+00 -3.319168e-03 2.964328e-03 4.076836e-03 -6.000000e+00 9.397559e-03 293.75 -2.00 20.00 -2.00 319.83 0.00e+00 4.719 0.000 302.00 328.00 3 4.6388e+00 2.2757e-02 5.6540e-02 -6.0000e+00 4.4871e-01 -3.5934e-02 2.9436e-02 4.0787e-02 -6.0000e+00 4.8457e-01 -5.3529e-03 2.5715e-02 1.2723e-02 -6.0000e+00 2.8991e-01 7.8811e-03 1.2800e-02 8.7616e-03 -6.0000e+00 1.2702e-01 3.1794e-05 1.3881e-03 4.0623e-04 4.7814e-05 -6.0000e+00 9.3470e-03 -1.2666e-02 2.4981e-04 12 9 9 12 9 1 75.57 20.90 0.48 -0.01267 -0.00223 4 18 1 5 0 3375.920 26.83 20.00 20.90 30.33 20.6 984.45 900000 -22647 900000 -130182 900000 -121232 2389 -71074 118329 900000 900000 -87746 -33161 4468 -81093 900000 -42019 80307 -23518 2980 135428 8736 -20886 51761 34244 42763 67864 -22150 -7076 72311 -4085 15213 8268 5993 14306 -23889 16193 -13022 -15650 1249 2681 2702 -5010 753 -11684 2761 16056 14345 3151 3812 -5426 4319 2396 2451 2471 8581 416 3039 -2298 2037 1088 -1510 2988 3731 -1030 -1418 -3232 -2568 191 9427 2849 128 654 -3375 4393 -606 -1109 -1246 -1983 -1335 2168 -2121 -166 -2431 931 -2401 859 -628 -293 -1240 181 1765 -2918 264 1739 -4 -194 -76 -175 1235 -2300 -3071 136 708 -2121 750 -2673 -151 1261 -56 2149 373 1075 134 866 385 278 877 263 -651 2302 -284 -832 -397 -1708 138 1746 316 655 -661 -448 259 -943 -24 -1277 -865 813 -293 219 152 514 402 900000 -274 900000 -2237 900000 -1883 29 -898 1431 900000 900000 -1976 -531 60 -2954 900000 -1332 971 -725 75 1638 224 -762 1049 899 1089 1363 -1021 -281 1432 -190 675 434 333 730 -1817 951 -1218 -1814 144 338 363 -752 109 -1918 400 2078 1931 491 632 -1078 863 532 583 622 2135 114 814 -639 545 307 -477 1000 1330 -391 -530 -1218 -1007 81 4090 1412 67 337 -1716 1929 -257 -452 -522 -925 -708 1261 -1419 -117 -1862 736 -2062 746 -563 -260 -1068 145 1331 -2240 206 1462 -4 -207 -88 -212 1457 -2640 -3315 139 739 -2390 868 -3337 -196 1735 -84 3341 601 1700 206 1271 555 408 1328 417 -1065 3673 -453 -1299 -601 -2537 197 2439 467 1042 -1146 -819 489 -1871 -49 -2773 -1933 1828 -670 495 335 1087 826 SS 20240805T133934.4Z 8983.569149 96 1 59.48 2 62.57 80.35 76.19 77.76 0.00 1 0.00 1 0 17 1.277e-02 6.662e-03 8.174e-03 2.191e-03 2.674568e-01 1.165979e-03 2.912899e-03 -6.000000e+00 7.762311e-03 227.35 -2.00 3.11 -2.00 317.73 0.00e+00 5.552180e-04 1.944791e-04 5.059947e-04 -6.000000e+00 3.564391e-04 293.75 -2.00 20.00 -2.00 316.80 0.00e+00 2.159 0.000 302.00 328.00 3 5.5174e+00 3.0964e-03 2.4125e-02 -6.0000e+00 1.9173e-02 1.6181e-02 3.4970e-03 1.2437e-02 -6.0000e+00 2.0661e-02 -3.3868e-03 2.1279e-03 6.0125e-03 -6.0000e+00 1.2402e-02 -4.0084e-03 1.0689e-03 1.6741e-03 -6.0000e+00 5.3580e-03 1.9234e-04 1.4245e-04 7.1274e-05 2.1645e-05 -6.0000e+00 3.9493e-04 -1.2688e-02 7.6330e-05 11 9 0 11 8 0 99.90 20.88 0.27 -0.01269 -0.01162 47 47 1 5 0 1265.350 26.83 20.00 20.88 33.72 20.6 985.20 1650 1887 1381 -4014 -4106 -335 -2192 1156 -797 -5204 -3076 -800 1247 -1563 -2084 1543 -1339 309 427 770 399 959 2533 1520 754 -238 -474 -774 -271 -462 626 1596 -1245 -3728 -3522 -3175 -948 -1072 -242 -1244 -1045 -1070 -438 204 -905 -397 -523 -664 -542 684 1122 1108 1334 1137 1822 1200 1348 752 348 258 1354 1875 1883 862 601 -497 -728 184 862 570 736 590 881 172 -368 -493 -1262 -1479 -1934 -1107 -1654 -2137 -1591 -1308 -594 -9 127 541 322 259 -329 -691 -867 -648 -367 351 1115 440 39 -455 -793 -948 -394 -286 -1080 -460 -23 139 860 902 971 624 359 176 216 402 222 666 -36 249 -186 7 204 247 -52 -167 299 -208 181 -389 -621 -555 -417 -39 -238 -346 309 171 280 -41 151 -186 145 177 131 -378 -358 -28 -196 112 -85 -601 -354 -95 163 -239 -359 278 -260 62 88 164 86 208 557 355 186 -61 -119 -186 -62 -107 152 415 -351 -1082 -989 -900 -289 -380 -99 -575 -518 -553 -230 108 -483 -210 -273 -342 -277 352 605 633 800 709 1161 785 889 496 228 170 920 1348 1441 687 474 -376 -526 133 660 475 650 537 794 151 -304 -377 -910 -1052 -1456 -907 -1487 -2071 -1617 -1387 -660 -10 152 659 391 305 -367 -725 -864 -646 -384 394 1342 566 52 -597 -995 -1132 -461 -345 -1375 -610 -32 197 1263 1382 1525 984 550 257 300 541 302 936 -54 379 -288 11 305 359 -74 -228 398 -283 257 -581 -958 -874 -672 -64 -410 -615 557 313 511 -74 266 -320 SS 20240805T134550.0Z 8983.573495 99 1 58.58 2 61.10 80.72 74.78 78.18 0.00 1 0.00 1 0 17 1.317e-02 6.876e-03 8.912e-03 2.700e-03 2.523360e-01 1.439455e-03 2.763382e-03 -6.000000e+00 8.005909e-03 227.35 -2.00 3.11 -2.00 317.48 0.00e+00 3.626043e-04 2.246428e-04 4.058900e-04 -6.000000e+00 3.677679e-04 293.75 -2.00 20.00 -2.00 316.56 0.00e+00 2.060 0.000 302.00 328.00 3 6.0546e+00 3.8035e-03 2.2959e-02 -6.0000e+00 1.9774e-02 1.7093e-02 4.2818e-03 1.1749e-02 -6.0000e+00 2.1311e-02 5.3115e-04 2.5671e-03 5.6801e-03 -6.0000e+00 1.2792e-02 -4.0002e-03 1.2734e-03 1.6005e-03 -6.0000e+00 5.5252e-03 1.2634e-04 -2.9847e-04 8.7769e-05 2.1312e-05 -6.0000e+00 4.0749e-04 -1.2602e-02 9.7456e-06 11 9 0 11 8 0 99.86 20.88 0.26 -0.01260 -0.01485 17 17 1 5 0 3445.320 26.83 20.00 20.88 33.84 20.7 985.23 -4123 -2089 -2760 -3490 1363 -4040 -2287 -1068 1301 -2317 -865 -2978 -2578 2406 -1064 405 -1915 367 -299 2753 -469 -1488 567 -939 3317 197 499 -844 2366 41 717 3113 729 -1072 -3206 -2600 -3229 -359 -672 -885 -1768 177 -74 -330 -131 -925 -313 -228 425 488 -244 707 1459 1226 948 1961 -72 395 -38 815 1662 1375 2721 611 519 -213 -726 263 679 1234 647 525 273 475 -558 -1214 -1056 -938 -1703 -1476 -1659 -2048 -1730 -1689 -547 30 145 208 113 340 -442 263 -989 159 -6 167 774 797 -3 -356 -911 -580 -28 -756 -1041 -714 -270 63 930 864 744 695 108 186 159 288 349 423 441 -305 288 152 -198 245 212 -140 186 531 155 -77 -663 -435 -353 -397 -51 -190 365 41 135 -183 400 -527 -441 -235 -313 -375 129 -394 -234 -121 156 -298 -111 -410 -393 398 -203 82 -417 81 -69 636 -113 -366 140 -247 881 55 137 -223 583 10 189 863 218 -327 -967 -789 -1078 -136 -295 -435 -940 96 -42 -186 -74 -521 -173 -123 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