File name: Pandora141s1_Calakmul_20250829_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250830T060458.5Z 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_20250829_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: 20250829 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 20250829T145056.6Z 9372.618710 145 1 30.77 2 46.37 95.16 118.58 105.31 0.00 1 0.00 1 0 17 9.922e-03 7.106e-03 5.803e-03 3.072e-03 1.885088e-01 1.659666e-03 2.065327e-03 -6.000000e+00 6.063224e-03 227.24 -2.00 3.11 -2.00 315.90 0.00e+00 7.271882e-04 1.781698e-04 1.050785e-04 -6.000000e+00 2.774658e-04 293.74 -2.00 20.00 -2.00 315.09 0.00e+00 1.447 0.000 302.00 328.00 3 6.4302e+00 4.2734e-03 1.6378e-02 -6.0000e+00 1.4974e-02 7.5196e-02 4.7415e-03 8.6498e-03 -6.0000e+00 1.6105e-02 3.5219e-03 2.7356e-03 4.2329e-03 -6.0000e+00 9.6689e-03 -6.0643e-03 1.2723e-03 1.2213e-03 -6.0000e+00 4.2080e-03 1.6844e-04 -3.9434e-04 9.7986e-05 1.7080e-05 -6.0000e+00 3.0637e-04 -5.7365e-02 -3.5428e-05 11 9 0 11 8 0 99.91 19.76 0.31 -0.05736 -0.06033 8 8 1 5 0 3844.100 26.00 20.01 19.76 35.65 41.3 985.06 1013 -2085 -2366 368 -2076 -730 -927 2516 -1665 -904 -1593 -817 -1831 291 1054 937 -146 210 1050 723 552 -511 1187 1450 1376 718 1016 -1527 211 771 97 2897 333 -622 -2381 -2088 -2556 -1226 -342 -554 -405 -900 -325 -350 345 376 -890 -427 -1045 -632 140 676 1447 520 473 289 439 -259 945 335 529 1431 2018 1279 535 -160 -396 -247 188 617 705 807 721 251 1 -108 -1089 -2669 -2137 -1235 -1942 -1691 -1640 -1212 -674 -125 352 285 359 830 668 -175 -537 -204 -328 181 918 946 636 56 -639 -924 -875 -902 -866 -644 -123 -450 653 812 1164 501 258 164 89 -408 -247 65 -70 210 96 420 164 278 -22 -238 44 124 111 -40 -299 -751 201 380 -8 142 314 18 -145 -34 22 -689 218 -495 -572 82 -435 -143 -188 540 -404 -226 -401 -207 -504 87 346 330 -54 79 403 285 221 -207 478 602 594 319 446 -656 85 299 39 1188 146 -279 -1050 -906 -1179 -632 -201 -363 -284 -659 -242 -263 257 278 -655 -305 -735 -442 100 501 1112 415 386 239 366 -217 778 277 447 1256 1861 1224 512 -146 -341 -207 163 575 699 827 741 253 1 -97 -915 -2176 -1767 -1087 -1859 -1725 -1755 -1344 -778 -150 439 364 458 1032 792 -195 -565 -208 -343 200 1080 1182 825 72 -802 -1104 -1020 -1071 -1075 -832 -163 -618 918 1179 1728 749 377 228 117 -519 -312 84 -95 294 137 600 231 381 -29 -305 54 154 142 -54 -411 -1051 284 548 -12 219 493 28 -233 -54 35 -1058 SS 20250829T145557.0Z 9372.622188 148 1 7.46 2 45.19 95.66 117.48 105.56 0.00 1 0.00 1 0 17 7.502e-03 6.045e-03 1.014e-03 6.956e-04 1.785705e-01 3.793302e-04 1.969045e-03 -6.000000e+00 4.585523e-03 227.24 -2.00 3.11 -2.00 314.89 0.00e+00 3.099349e-04 3.314922e-05 5.052615e-05 -6.000000e+00 2.097897e-04 293.74 -2.00 20.00 -2.00 314.17 0.00e+00 1.417 0.000 302.00 328.00 3 2.5765e+00 9.6654e-04 1.5887e-02 -6.0000e+00 1.1325e-02 2.1449e-02 1.0661e-03 8.1913e-03 -6.0000e+00 1.2180e-02 1.2249e-03 6.1350e-04 4.0159e-03 -6.0000e+00 7.3121e-03 -3.7267e-03 2.7514e-04 1.1337e-03 -6.0000e+00 3.1830e-03 8.5454e-03 -1.5853e-04 2.1938e-05 1.7431e-05 -6.0000e+00 2.3166e-04 -5.8253e-02 -1.1388e-05 12 1 1 12 1 1 99.20 19.77 0.15 -0.05825 -0.05944 73 298 1 5 0 100.750 26.00 20.00 19.77 35.88 41.3 985.04 288 -375 -1016 -1731 -2193 -665 -257 1097 534 -800 -1357 -806 39 309 413 15 -140 129 477 673 531 822 786 1357 754 652 147 -281 595 879 1402 1796 1203 -788 -1767 -1468 -1452 -592 -275 -781 -1079 -1094 -766 -770 -499 -593 -1024 -703 -292 -17 466 640 791 455 544 734 652 295 352 761 995 1506 1686 892 175 -176 -302 368 1105 812 431 273 291 214 2 -104 -466 -233 -408 -724 -1342 -1613 -1929 -1594 -1015 -625 -290 -113 -44 78 196 188 163 666 491 554 549 357 -120 -395 -556 -612 -7 49 -614 -715 -730 -226 214 454 446 151 154 53 290 622 615 722 347 -114 -75 -233 -114 226 292 182 564 642 484 240 -217 -318 -177 85 -105 -151 24 -89 -38 -214 -257 -370 92 -129 -355 -573 -711 -200 -79 368 183 -289 -492 -294 15 134 185 7 -70 62 235 339 272 419 405 720 421 374 84 -152 299 453 731 923 655 -442 -964 -784 -828 -363 -187 -579 -831 -884 -631 -639 -412 -485 -820 -571 -229 -13 372 511 663 398 464 637 572 259 306 657 882 1408 1604 892 175 -164 -272 334 994 771 446 283 303 216 2 -99 -420 -198 -355 -658 -1297 -1706 -2089 -1739 -1172 -736 -347 -139 -54 97 225 214 170 693 528 617 642 438 -150 -488 -677 -724 -8 57 -736 -911 -937 -301 285 635 622 212 216 72 375 754 768 899 444 -156 -102 -315 -156 297 379 224 692 783 616 311 -283 -424 -240 120 -149 -217 36 -135 -58 -321 -374 -542 SS 20250829T150039.1Z 9372.625453 151 1 4.41 2 44.08 96.16 116.45 105.79 0.00 1 0.00 1 0 17 7.454e-03 6.113e-03 1.418e-03 1.007e-03 1.761124e-01 5.505029e-04 1.941977e-03 -6.000000e+00 4.556154e-03 227.24 -2.00 3.11 -2.00 314.72 0.00e+00 1.885652e-04 4.654381e-05 4.598811e-05 -6.000000e+00 2.084477e-04 293.74 -2.00 20.00 -2.00 314.03 0.00e+00 1.390 0.000 302.00 328.00 3 2.8072e+00 1.3993e-03 1.5608e-02 -6.0000e+00 1.1252e-02 2.6343e-02 1.5421e-03 8.0663e-03 -6.0000e+00 1.2102e-02 2.1836e-04 8.8823e-04 3.9579e-03 -6.0000e+00 7.2653e-03 -3.0369e-03 3.9599e-04 1.1150e-03 -6.0000e+00 3.1626e-03 6.9854e-03 -2.1547e-04 3.1830e-05 1.7364e-05 -6.0000e+00 2.3018e-04 -5.8225e-02 -1.2629e-05 12 1 1 12 1 1 67.34 19.77 0.20 -0.05823 -0.05984 32 225 1 5 0 133.390 26.00 20.00 19.77 36.19 41.3 985.04 164 -529 -521 -1635 -1762 -364 -185 1231 495 -502 -1601 -574 -189 -160 249 -126 -270 7 662 778 703 461 585 1132 921 499 -84 -158 723 1232 1538 1898 1387 -1063 -1575 -1746 -1365 -304 -26 -926 -1098 -838 -791 -525 -634 -681 -865 -951 -290 -59 413 499 795 519 379 615 503 430 453 637 1160 1469 1636 840 114 -256 -246 353 1016 1035 311 423 403 211 12 -90 -459 -260 -556 -814 -1368 -1802 -1898 -1507 -1053 -477 -431 -15 -30 111 195 252 124 829 476 426 514 194 -206 -399 -438 -373 80 38 -542 -812 -731 -299 228 586 394 118 -89 99 302 570 724 740 317 -95 -108 -169 -143 -31 361 110 625 578 508 472 -75 -201 -118 107 -215 -98 8 -150 -114 -184 -293 -373 57 -198 -196 -587 -573 -118 -62 415 184 -197 -631 -226 -74 -70 113 -62 -137 4 349 421 386 254 324 609 518 290 -48 -86 388 634 802 1040 804 -600 -913 -995 -779 -187 -17 -695 -858 -684 -660 -440 -530 -563 -699 -781 -229 -46 332 402 671 457 327 539 446 380 396 555 1034 1384 1571 847 114 -241 -223 322 919 986 310 441 422 215 12 -85 -414 -221 -484 -741 -1326 -1835 -2064 -1652 -1223 -565 -520 -18 -37 133 225 276 130 862 512 476 604 239 -257 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