File name: Pandora141s1_Calakmul_20250504_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250505T060229.7Z 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_20250504_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: 20250504 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 20250504T130758.5Z 9255.547205 115 1 60.03 2 67.93 79.63 140.08 18.59 0.00 1 0.00 1 0 25 5.893e-02 8.994e-03 3.747e-02 4.755e-03 3.184605e-01 2.592278e-03 3.440242e-03 -6.000000e+00 3.638312e-02 229.81 -2.00 3.11 -2.00 319.01 0.00e+00 4.371247e-04 6.098080e-04 2.461464e-04 -6.000000e+00 1.639910e-03 292.64 -2.00 20.00 -2.00 318.13 0.00e+00 2.638 0.000 302.00 328.00 3 5.9678e+00 7.1929e-03 2.9517e-02 -6.0000e+00 9.0455e-02 -4.1298e-02 8.2924e-03 1.5114e-02 -6.0000e+00 9.7099e-02 2.3516e-02 5.6428e-03 7.3714e-03 -6.0000e+00 5.8128e-02 -1.5031e-02 2.9441e-03 2.0615e-03 -6.0000e+00 2.5163e-02 7.2995e-05 -1.5122e-03 1.5801e-04 2.6905e-05 -6.0000e+00 1.8205e-03 -6.5582e-02 -5.4192e-05 11 9 0 11 8 0 100.00 19.92 0.35 -0.06558 -0.07695 65 65 1 5 0 923.020 26.11 19.97 19.92 32.42 37.5 980.00 -14990 15950 -14038 14596 -12398 18722 -16162 7307 4600 -10847 17320 -19748 14731 -26063 12533 -8771 23 5271 -5254 12053 -5014 14170 -4203 7869 1018 3581 4584 -2487 9287 -5486 8993 436 6030 -3667 668 -615 -4791 1802 -3925 4035 -3004 2868 -3034 16 -2075 -1697 -65 -2306 2587 -5222 746 -452 1611 61 299 1214 -1542 2058 -1243 1069 125 2624 1466 1122 2071 -928 1567 -616 2868 -781 2001 158 466 1087 -926 811 -2275 1403 -2419 -141 -1988 -884 -1356 -1632 -850 -1500 731 -322 134 347 1090 526 -30 151 -624 1587 226 734 -30 -32 -583 -940 392 -811 236 -1759 -533 -985 763 649 685 1139 -270 427 -512 287 -272 613 11 -545 -368 -590 446 -51 513 -76 112 110 720 718 -764 274 -630 491 -586 294 145 -171 438 -518 350 -416 -636 568 -690 537 -546 596 -738 299 214 -621 788 -1323 798 -2379 919 -875 2 524 -604 1231 -620 1483 -534 943 138 496 633 -356 1148 -772 1164 67 956 -662 114 -105 -910 372 -1010 1116 -983 946 -1098 6 -765 -625 -23 -843 902 -1992 283 -186 694 28 143 595 -791 1025 -633 532 64 1408 861 702 1307 -580 908 -359 1706 -530 1440 122 360 813 -666 530 -1409 809 -1497 -94 -1510 -731 -1209 -1541 -845 -1591 800 -367 153 386 1141 517 -28 136 -592 1607 256 900 -40 -41 -738 -1120 443 -936 284 -2281 -716 -1388 1113 1004 1110 1876 -443 665 -759 404 -382 881 17 -872 -602 -963 708 -79 763 -109 155 154 1049 1114 -1263 464 -1103 885 -1112 579 293 -353 906 -1066 698 -810 SS 20250504T133512.4Z 9255.566115 133 1 59.94 2 61.57 81.29 137.76 27.21 0.00 1 0.00 1 0 17 4.001e-02 9.571e-03 2.325e-02 5.116e-03 2.560504e-01 2.767760e-03 2.763325e-03 -6.000000e+00 2.472875e-02 229.81 -2.00 3.11 -2.00 318.21 0.00e+00 1.197379e-04 5.093663e-04 2.438766e-04 -6.000000e+00 1.113871e-03 292.64 -2.00 20.00 -2.00 317.30 0.00e+00 2.090 0.000 302.00 328.00 3 6.4572e+00 7.4563e-03 2.3444e-02 -6.0000e+00 6.1483e-02 -2.1688e-02 8.4309e-03 1.2062e-02 -6.0000e+00 6.5973e-02 2.4342e-02 5.2679e-03 5.8467e-03 -6.0000e+00 3.9497e-02 -1.5762e-02 2.6834e-03 1.6391e-03 -6.0000e+00 1.7119e-02 8.1551e-05 -1.6748e-04 1.6972e-04 2.1125e-05 -6.0000e+00 1.2358e-03 -6.9389e-02 1.0880e-04 12 9 8 11 8 0 100.00 19.91 0.11 -0.06939 -0.07065 112 112 1 5 0 535.050 26.11 20.00 19.91 33.10 37.6 980.26 -8542 7878 -7503 4255 1108 -2800 6614 -6688 27411 -10987 10261 -603 4121 3587 -3646 8132 -6688 10046 -7586 9738 -5520 2814 3976 35 1936 -5835 6752 -5545 4719 -3052 5496 3822 -2567 3519 -3645 5305 -4217 2028 -2348 -603 -679 -2816 448 -3434 2029 -3837 1251 -2244 1788 -1850 -653 -77 115 1526 -1547 1170 -628 607 251 708 1943 715 2536 -877 2436 -1639 889 185 1642 1087 335 798 -541 2071 225 1659 -996 251 954 -1075 436 -2287 -1213 -3058 66 -688 -333 947 113 1390 -739 978 -1294 1080 -322 1512 -88 115 64 -829 -443 -1228 -244 -528 -430 -949 -459 -244 -485 1128 76 717 -290 226 289 321 726 88 317 -120 435 -761 288 -500 -210 597 -344 1260 -418 492 -311 313 -39 378 107 -767 626 -517 693 -868 235 -208 -662 578 -656 323 80 -201 450 -567 1884 -1134 888 -59 423 419 -514 1130 -1130 1515 -1400 1586 -1064 507 721 7 396 -1333 1375 -1220 901 -613 1054 801 -613 818 -886 1171 -1080 563 -798 -232 -288 -1289 206 -1660 935 -1864 573 -1043 791 -852 -310 -39 61 838 -905 685 -380 364 150 421 1172 462 1734 -651 1771 -1181 588 120 1102 806 271 676 -468 1705 179 1195 -675 160 621 -781 347 -2040 -1146 -3097 69 -768 -389 1132 136 1623 -832 1007 -1262 1002 -313 1563 -102 143 85 -1103 -563 -1474 -280 -615 -529 -1241 -625 -345 -722 1743 124 1176 -469 345 414 438 977 122 465 -186 691 -1220 448 -760 -306 830 -466 1681 -591 731 -487 502 -63 642 191 -1437 1193 -1014 1353 -1698 445 -384 SS 20250504T134331.0Z 9255.571886 139 1 3.74 2 59.62 81.79 136.89 29.64 0.00 1 0.00 1 0 17 3.714e-02 1.207e-02 2.523e-02 9.243e-03 2.269912e-01 5.011941e-03 2.501110e-03 -6.000000e+00 2.296835e-02 229.81 -2.00 3.11 -2.00 316.82 0.00e+00 6.631146e-04 6.553361e-04 4.173745e-04 -6.000000e+00 1.034399e-03 292.64 -2.00 20.00 -2.00 315.96 0.00e+00 1.969 0.000 302.00 328.00 3 5.5837e+00 1.3132e-02 2.1656e-02 -6.0000e+00 5.7107e-02 -5.3680e-02 1.4598e-02 1.0522e-02 -6.0000e+00 6.1264e-02 3.0481e-02 8.5962e-03 5.0704e-03 -6.0000e+00 3.6678e-02 -1.4836e-02 4.1758e-03 1.4067e-03 -6.0000e+00 1.5909e-02 2.3288e-04 5.0067e-04 2.9711e-04 1.9050e-05 -6.0000e+00 1.1471e-03 -7.2657e-02 1.5265e-04 12 9 9 12 1 1 999.00 19.92 0.53 -0.07266 -0.06889 1 32 1 5 0 1866.920 26.11 19.99 19.92 33.21 37.7 980.27 6600 3158 -5109 -201 3170 22274 -1496 25571 -281 -4686 -1792 3067 11198 -3557 4456 -197 -1030 5221 6713 -4416 -204 -138 -1416 931 -2767 1520 -714 737 -693 8945 -761 -2476 1556 -6029 1439 -5162 636 -803 -123 363 -2547 -316 -3314 -1963 -566 980 -755 -3097 -2042 -3731 -621 -2923 1551 -1 1765 1209 980 410 -382 -684 1101 2651 1155 1928 1476 902 230 1134 2211 2084 1376 322 2120 371 1516 92 570 -123 -344 19 -2611 -122 -3749 -1262 -552 480 402 -181 -1646 -1037 610 1333 272 974 330 -367 -660 650 309 -287 -391 86 -1579 146 -2531 -804 282 -101 292 224 556 555 -772 -1082 809 80 -171 1361 1740 1024 645 590 -379 -1556 473 -197 438 -906 738 -426 243 -592 266 -5 -430 -914 -167 1439 -893 -254 377 369 819 443 -797 -29 410 2301 -198 2900 -44 -810 -306 512 1883 -764 997 -50 -277 1376 1805 -1346 -62 -42 -440 295 -944 516 -248 244 -223 2590 -245 -861 554 -2339 514 -1924 238 -342 -60 196 -1519 -194 -2133 -1267 -362 620 -479 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