File name: Pandora141s1_Calakmul_20241018_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241019T055138.5Z 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 v1.8.60 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20241018_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: 20241018 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 20241018T143506.3Z 9057.607712 341 1 25.39 2 54.35 117.74 110.35 297.87 0.00 1 0.00 1 0 25 1.040e-02 7.252e-03 7.336e-03 3.432e-03 1.994239e-01 1.843021e-03 2.170760e-03 -6.000000e+00 6.347004e-03 226.92 -2.00 3.11 -2.00 316.32 0.00e+00 5.252192e-04 2.167439e-04 1.081927e-04 -6.000000e+00 2.899419e-04 292.96 -2.00 20.00 -2.00 315.48 0.00e+00 1.711 0.000 302.00 328.00 3 6.1499e+00 4.7679e-03 1.8799e-02 -6.0000e+00 1.5668e-02 5.6059e-02 5.3062e-03 9.1555e-03 -6.0000e+00 1.6860e-02 9.2768e-03 3.0784e-03 4.4760e-03 -6.0000e+00 1.0119e-02 -7.8923e-03 1.4555e-03 1.2753e-03 -6.0000e+00 4.4004e-03 1.7156e-04 -6.4722e-05 1.0987e-04 1.7507e-05 -6.0000e+00 3.2121e-04 -5.1550e-02 6.2827e-05 12 9 1 12 1 1 100.00 19.85 0.29 -0.05155 -0.05204 18 45 1 5 0 1335.810 26.00 20.01 19.85 33.40 30.1 983.81 1765 1342 -3121 272 -2337 -2315 691 634 2209 -756 -4370 -1282 317 -2611 -632 200 -1099 -260 901 1612 1658 -992 -77 1074 1793 726 -224 -55 -82 643 1540 491 509 -1192 -1931 -1293 -1710 245 -438 -428 -480 -1257 -47 156 -195 -419 -336 -919 -568 -334 650 630 729 786 413 944 -466 887 182 389 887 1013 2125 1249 516 -709 -80 -523 643 905 272 946 1243 725 258 -755 -1245 -1570 -2060 -1424 -1093 -1308 -2039 -1868 -874 -427 -85 653 937 733 378 -266 -813 -48 -239 470 429 927 290 -321 -108 -884 -408 -240 -1126 -1280 -735 -283 411 1297 511 692 325 109 -210 -212 -516 155 254 196 -82 156 12 334 240 168 694 871 72 153 -340 -551 -437 300 182 -79 841 136 147 -357 -496 -813 316 259 -637 51 -413 -390 117 118 443 -162 -970 -282 74 -699 -184 62 -359 -87 306 558 584 -359 -28 400 691 290 -89 -21 -30 226 549 187 204 -491 -775 -511 -721 116 -239 -261 -315 -864 -32 109 -137 -293 -230 -619 -375 -220 437 444 536 597 322 745 -375 705 144 309 718 859 1888 1155 476 -629 -66 -427 542 823 265 946 1244 711 241 -663 -1020 -1240 -1670 -1237 -1027 -1317 -2167 -2064 -1004 -513 -105 827 1184 906 446 -296 -850 -49 -250 520 509 1166 379 -420 -135 -1060 -476 -285 -1411 -1676 -991 -393 586 1904 773 1048 481 154 -281 -273 -664 204 349 281 -120 227 17 467 325 218 876 1100 95 209 -479 -791 -637 446 281 -126 1362 225 244 -586 -800 -1287 SS 20241018T144013.3Z 9057.611266 344 1 61.29 2 53.28 118.56 111.37 298.49 0.00 1 0.00 1 0 17 1.237e-02 8.488e-03 7.044e-03 3.219e-03 2.015799e-01 1.729330e-03 2.238740e-03 -6.000000e+00 7.542017e-03 226.92 -2.00 3.11 -2.00 316.41 0.00e+00 4.898917e-04 2.071943e-04 2.674634e-04 -6.000000e+00 3.446526e-04 292.96 -2.00 20.00 -2.00 315.57 0.00e+00 1.668 0.000 302.00 328.00 3 6.7476e+00 4.4796e-03 1.8497e-02 -6.0000e+00 1.8618e-02 9.1899e-02 4.9896e-03 9.2539e-03 -6.0000e+00 2.0036e-02 7.7952e-04 2.8972e-03 4.5192e-03 -6.0000e+00 1.2025e-02 -5.0253e-03 1.3733e-03 1.2785e-03 -6.0000e+00 5.2277e-03 9.6689e-05 -4.8368e-04 1.0340e-04 1.8599e-05 -6.0000e+00 3.8188e-04 -5.0351e-02 2.5520e-05 11 9 0 11 8 0 99.98 19.86 0.32 -0.05035 -0.05399 17 17 1 5 0 3604.820 26.00 20.00 19.86 33.76 30.1 983.83 -509 -855 -1509 -2980 -3499 -2071 -2429 2467 -489 -1165 592 -3411 -1595 -1300 108 1301 -21 421 2605 1956 326 2034 971 1054 1344 1351 152 -817 982 -289 273 2056 2033 -1046 -1572 -3153 -4011 -1565 -1046 -738 -186 -1021 -248 68 -87 -324 -698 -1483 -925 -361 338 -109 379 1268 1150 1004 902 367 297 43 792 1801 2656 1890 322 -379 -402 -830 -155 1404 551 938 1281 -9 -91 -562 -2243 -1840 -2241 -1883 -1881 -1435 -1542 -1321 -854 202 180 1153 906 675 107 -473 -896 -1127 -1051 81 283 695 432 346 -593 -1086 -988 -731 -740 -1412 -691 196 1340 1286 1414 1230 315 272 -278 -561 136 -279 -22 -7 340 528 397 -61 -53 21 -484 -255 69 -67 -551 -456 -644 329 -64 16 468 97 169 132 -36 -654 -90 -164 -295 -561 -605 -336 -409 436 -97 -242 121 -740 -368 -334 31 390 -7 136 848 658 113 697 340 382 507 523 59 -305 341 -99 95 748 780 -418 -610 -1227 -1674 -729 -561 -444 -120 -694 -171 48 -61 -224 -475 -989 -602 -234 224 -76 276 949 882 785 712 290 233 34 635 1505 2336 1732 297 -333 -331 -671 -130 1263 533 937 1279 -9 -85 -487 -1819 -1425 -1783 -1617 -1759 -1438 -1629 -1453 -984 243 226 1468 1154 839 127 -525 -931 -1142 -1096 90 336 878 568 453 -749 -1303 -1152 -870 -925 -1857 -936 272 1913 1909 2154 1882 472 387 -374 -725 174 -367 -31 -11 500 773 571 -85 -72 28 -612 -322 90 -91 -778 -655 -941 492 -100 25 767 161 283 218 -58 -1040 SS 20241018T144632.1Z 9057.615649 347 1 59.93 2 51.98 119.62 112.60 299.26 0.00 1 0.00 1 0 17 1.591e-02 9.754e-03 1.201e-02 5.126e-03 2.003314e-01 2.746803e-03 2.202822e-03 -6.000000e+00 9.695949e-03 226.92 -2.00 3.11 -2.00 316.61 0.00e+00 4.183970e-04 3.447444e-04 2.870782e-04 -6.000000e+00 4.432967e-04 292.96 -2.00 20.00 -2.00 315.76 0.00e+00 1.620 0.000 302.00 328.00 3 7.2398e+00 7.1346e-03 1.8051e-02 -6.0000e+00 2.3935e-02 1.0343e-01 7.9615e-03 9.1672e-03 -6.0000e+00 2.5763e-02 8.5143e-03 4.6391e-03 4.4663e-03 -6.0000e+00 1.5462e-02 -9.5349e-03 2.2162e-03 1.2744e-03 -6.0000e+00 6.7175e-03 6.1580e-05 -8.3378e-04 1.6511e-04 1.8035e-05 -6.0000e+00 4.9132e-04 -4.6960e-02 -3.0719e-06 12 8 8 10 0 0 99.80 19.87 0.58 -0.04696 -0.05323 31 31 1 5 0 1932.910 26.00 20.00 19.87 34.19 30.0 983.92 2242 2184 -1536 4174 -953 3931 -2553 187 4119 3420 -642 -6479 1551 -7261 -53 -92 359 -461 479 694 -2095 2136 -869 1537 -200 125 541 -224 -218 207 3409 809 2266 -2103 -169 -3731 -1352 -1444 -825 -232 -989 -668 886 1078 366 -1076 -1176 -1368 -679 -1334 -318 -582 352 629 2495 344 -62 936 200 724 -486 2472 1765 1104 1372 643 -527 -1038 980 455 205 560 1593 707 -176 496 -2987 -2017 -2567 -1340 -1698 -2189 -1602 -1397 -658 227 1095 711 899 454 809 -754 -1598 -968 -1589 -305 102 1705 665 703 -758 -1051 -762 -1117 -1282 -882 273 -138 774 1862 886 989 43 311 -524 -1325 -892 -116 94 328 762 946 344 103 142 -985 -499 -693 -215 69 -1021 -108 196 -520 -65 168 1075 707 526 -416 -191 -966 361 379 -280 682 -150 561 -401 32 732 636 -124 -1353 325 -1850 -14 -26 106 -141 150 222 -701 688 -291 524 -72 46 197 -78 -72 66 1089 281 819 -801 -61 -1378 -522 -640 -424 -134 -623 -438 587 720 245 -725 -776 -880 -425 -840 -205 -396 249 461 1841 263 -48 718 153 551 -385 2010 1538 1004 1233 548 -424 -818 796 405 196 555 1569 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