File name: Pandora141s1_Calakmul_20250708_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250709T070441.3Z 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_20250708_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: 20250708 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 20250708T133130.6Z 9320.563548 227 1 29.15 2 63.12 73.73 144.17 247.62 0.00 1 0.00 1 0 17 3.325e-02 8.860e-03 2.726e-02 5.909e-03 2.741446e-01 3.166897e-03 3.035532e-03 -6.000000e+00 2.034245e-02 227.80 -2.00 3.11 -2.00 318.13 0.00e+00 1.334654e-04 5.841073e-04 5.348132e-04 -6.000000e+00 9.299369e-04 293.76 -2.00 20.00 -2.00 317.21 0.00e+00 2.200 0.000 302.00 328.00 3 6.3788e+00 8.4898e-03 2.4760e-02 -6.0000e+00 5.0305e-02 2.9767e-03 9.6237e-03 1.3101e-02 -6.0000e+00 5.4100e-02 1.1936e-02 6.0163e-03 6.2618e-03 -6.0000e+00 3.2463e-02 -7.4900e-03 3.0831e-03 1.8228e-03 -6.0000e+00 1.4098e-02 7.6975e-05 -3.6776e-04 1.9360e-04 2.3275e-05 -6.0000e+00 1.0273e-03 -5.2667e-02 -1.1037e-04 11 9 0 11 8 0 99.95 19.83 0.44 -0.05267 -0.05543 14 14 1 5 0 2081.400 26.00 20.00 19.83 34.20 40.6 986.98 -13208 13724 -7763 6326 -12682 5529 7982 7312 -1982 3729 -111 -11726 2460 -8608 5640 -3980 5070 -7050 34 -1803 -6219 2925 -2527 6521 -2192 4591 -1972 -106 4037 -138 3665 -2964 4737 -1986 -1134 -5377 862 1050 -862 83 -2645 406 -3436 1369 -889 1273 -597 -3935 390 -2400 2145 1533 1668 -762 2676 354 587 1099 600 -53 2426 3039 2741 1503 1356 -32 851 230 1495 -1027 155 420 1236 287 -993 423 -1340 -692 -1105 -547 -1732 -1290 -521 -2139 -504 -1137 -296 -759 359 -346 51 408 287 1188 -671 1237 131 579 -637 208 -1301 -185 -14 -832 -1047 -1290 -970 -697 734 947 454 415 252 122 -37 790 -15 650 172 708 -205 -434 369 -88 580 -577 1115 931 1255 42 5 -291 -548 31 -495 37 -211 448 62 -651 389 -727 -1034 911 -647 442 -980 347 514 528 -172 323 -10 -1247 254 -1126 730 -619 767 -1248 6 -327 -1205 525 -488 1217 -469 954 -433 -22 770 -27 728 -679 1081 -494 -272 -1339 218 308 -302 33 -1174 185 -1667 644 -428 599 -282 -1888 178 -1142 1025 784 903 -441 1551 215 360 672 365 -32 1499 1983 1926 1118 1011 -23 574 154 1049 -809 130 365 1070 243 -801 311 -925 -460 -766 -414 -1464 -1182 -504 -2204 -541 -1297 -350 -926 434 -409 56 423 279 1128 -675 1327 154 734 -853 275 -1665 -221 -16 -990 -1315 -1706 -1332 -993 1081 1463 730 673 400 184 -53 1076 -20 913 255 1090 -325 -684 566 -131 833 -805 1490 1254 1765 63 8 -468 -901 52 -877 68 -397 850 118 -1232 713 -1309 SS 20250708T133647.3Z 9320.567214 230 1 29.53 2 61.92 73.97 145.26 247.38 0.00 1 0.00 1 0 17 1.355e-02 6.124e-03 9.238e-03 2.697e-03 2.664174e-01 1.449739e-03 2.915938e-03 -6.000000e+00 8.295055e-03 227.80 -2.00 3.11 -2.00 317.44 0.00e+00 -3.739193e-05 2.238939e-04 3.190003e-04 -6.000000e+00 3.791260e-04 293.76 -2.00 20.00 -2.00 316.53 0.00e+00 2.114 0.000 302.00 328.00 3 5.4509e+00 3.8255e-03 2.3796e-02 -6.0000e+00 2.0513e-02 9.8942e-03 4.2955e-03 1.2464e-02 -6.0000e+00 2.2059e-02 5.8961e-03 2.5911e-03 6.0343e-03 -6.0000e+00 1.3237e-02 -7.4938e-03 1.2951e-03 1.7457e-03 -6.0000e+00 5.7496e-03 2.1368e-04 -5.5732e-04 8.7039e-05 2.2985e-05 -6.0000e+00 4.1876e-04 -5.2879e-02 -5.7802e-05 10 0 0 10 0 0 99.75 19.84 0.28 -0.05288 -0.05707 12 12 1 5 0 2459.930 26.00 19.98 19.84 34.30 40.7 986.99 386 -5072 -946 -698 -830 -4321 -4587 2328 -6074 -1029 -6234 272 859 -22 2170 -212 -606 -1232 309 -1409 1261 463 1725 1886 281 1425 23 -242 570 -60 1842 1305 1292 -1048 -2675 -199 -2142 -2691 -248 -1586 -1353 40 154 -904 -624 -567 -329 -1040 -266 230 456 698 1651 -8 1032 1170 525 -158 727 1226 953 1812 1654 1184 179 615 -689 544 832 1171 71 381 555 -171 170 -109 -59 -814 -971 -798 -1309 -1196 -2001 -1619 -742 -734 -291 10 590 433 -190 -303 -330 129 156 725 397 300 58 -463 -997 -763 146 -327 -710 -1130 -500 -355 308 812 677 495 416 324 -32 276 613 406 123 165 -65 60 27 -10 18 -105 795 249 649 236 14 -254 -444 24 -56 -464 97 231 -1 -439 112 -377 36 -549 -101 -71 -78 -404 -451 238 -743 -126 -816 35 120 -4 384 -42 -127 -270 69 -331 296 110 415 475 76 392 7 -65 145 -15 475 364 384 -325 -820 -59 -696 -1006 -105 -770 -710 22 86 -514 -354 -321 -184 -575 -145 126 259 418 1033 -5 695 804 367 -111 503 846 676 1343 1305 975 148 488 -526 406 650 988 65 357 520 -157 148 -89 -45 -603 -742 -661 -1184 -1161 -2060 -1733 -827 -857 -352 12 724 521 -219 -329 -339 130 163 804 475 382 76 -613 -1278 -928 172 -393 -894 -1489 -679 -497 445 1219 1047 772 637 476 -45 373 825 561 177 247 -99 91 40 -14 25 -144 1057 333 901 343 21 -391 -698 38 -93 -799 169 411 -2 -776 193 -640 SS 20250708T134118.6Z 9320.570354 233 1 1.81 2 60.89 74.17 146.21 247.15 0.00 1 0.00 1 0 17 1.053e-02 6.648e-03 6.649e-03 2.915e-03 2.581978e-01 1.574829e-03 2.807784e-03 -6.000000e+00 6.444192e-03 227.80 -2.00 3.11 -2.00 316.47 0.00e+00 4.694468e-04 1.922973e-04 1.829472e-04 -6.000000e+00 2.944191e-04 293.76 -2.00 20.00 -2.00 315.61 0.00e+00 2.046 0.000 302.00 328.00 3 3.1249e+00 4.0895e-03 2.2976e-02 -6.0000e+00 1.5936e-02 5.3401e-03 4.5506e-03 1.1863e-02 -6.0000e+00 1.7135e-02 -6.4993e-05 2.6461e-03 5.7911e-03 -6.0000e+00 1.0283e-02 -3.8695e-03 1.2646e-03 1.6182e-03 -6.0000e+00 4.4675e-03 2.3679e-03 -1.5927e-04 9.2280e-05 2.2397e-05 -6.0000e+00 3.2513e-04 -5.2431e-02 4.1251e-05 12 9 1 12 1 1 99.83 19.83 0.19 -0.05243 -0.05363 7 133 1 5 0 225.330 26.00 20.00 19.83 34.43 40.7 987.08 1138 -1179 1207 229 -4413 -146 159 2864 -1093 -2806 -718 -2544 -60 1943 -700 -1443 478 -568 879 418 305 -63 1712 1421 1112 1024 -1013 -148 1208 -175 1737 1082 737 -1922 -3453 -2086 -1335 -1244 -1482 -1312 -744 -749 -280 -460 0 -642 -904 -1032 -548 184 673 141 1222 1233 1205 1414 477 515 205 642 1523 1511 2274 1315 466 16 -516 176 735 1109 308 284 687 124 259 -537 -385 -1596 -863 -814 -1379 -1746 -1614 -1546 -1079 -442 23 73 -55 -191 109 -81 -784 387 -317 547 452 355 194 -320 -362 -887 410 181 -383 -845 -961 -105 440 1065 562 495 244 168 466 310 468 137 401 -169 -344 -136 335 93 164 -58 381 551 275 557 -453 -554 -387 87 -51 -386 -3 -116 408 -74 130 -602 183 -196 217 40 -730 -22 25 486 -213 -539 -137 -511 -13 471 -198 -418 143 -179 284 140 104 -22 590 515 427 379 -379 -56 429 -62 629 426 291 -796 -1407 -830 -567 -614 -815 -781 -456 -485 -185 -309 0 -431 -599 -669 -348 117 446 100 864 913 922 1106 382 411 162 505 1226 1233 1985 1161 414 14 -430 143 628 997 289 279 673 118 241 -480 -330 -1328 -741 -735 -1332 -1777 -1681 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