File name: Pandora141s1_Calakmul_20250602_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250603T060031.4Z 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_20250602_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: 20250602 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 20250602T133538.5Z 9284.566417 126 1 30.53 2 60.59 74.38 140.28 45.10 0.00 1 0.00 1 0 17 1.285e-01 2.356e-02 1.026e-01 2.236e-02 2.522481e-01 1.203394e-02 3.039056e-03 -6.000000e+00 7.908425e-02 229.19 -2.00 3.11 -2.00 317.87 0.00e+00 1.871729e-03 2.044112e-03 1.040526e-03 -6.000000e+00 3.589513e-03 293.48 -2.00 20.00 -2.00 316.96 0.00e+00 2.027 0.000 302.00 328.00 3 8.1435e+00 3.2080e-02 2.2977e-02 -6.0000e+00 1.9625e-01 8.9171e-02 3.6168e-02 1.2417e-02 -6.0000e+00 2.1080e-01 8.4759e-03 2.2065e-02 5.9059e-03 -6.0000e+00 1.2633e-01 -3.9001e-03 1.1133e-02 1.6033e-03 -6.0000e+00 5.4731e-02 1.5232e-05 -7.6035e-04 7.2997e-04 2.1073e-05 -6.0000e+00 3.9698e-03 -5.7506e-02 -7.4345e-05 12 9 8 11 8 0 99.86 19.87 0.97 -0.05751 -0.06322 9 9 1 5 0 3391.880 26.11 20.01 19.87 35.18 38.0 982.86 18119 -12166 26119 -12502 -4252 -3265 101816 14041 29361 -30309 -34996 27945 12800 -3065 53165 7654 -6904 8974 -3879 -9731 13624 -20212 -5228 -6009 2675 13261 6187 7139 11197 4394 7812 31019 -8474 6542 20252 -8255 -2239 -568 -3937 -3459 -3449 654 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1699 3743 -2727 1260 -344 -1489 -2382 -419 -3092 -4293 -2408 -2362 1093 2347 545 -836 -2029 2548 -1642 2105 -1351 1436 -3554 154 3595 986 4033 4563 1596 737 -1451 4519 557 -1190 619 -412 -91 -466 -161 737 3094 1498 -3362 -794 -877 -1848 -1754 SS 20250602T134050.7Z 9284.570032 129 1 29.46 2 59.40 74.61 139.45 46.50 0.00 1 0.00 1 0 17 2.811e-02 1.028e-02 2.537e-02 7.460e-03 2.379033e-01 4.019205e-03 2.621008e-03 -6.000000e+00 1.731023e-02 229.19 -2.00 3.11 -2.00 317.63 0.00e+00 2.267206e-03 6.393363e-04 3.074505e-04 -6.000000e+00 7.851434e-04 293.48 -2.00 20.00 -2.00 316.72 0.00e+00 1.956 0.000 302.00 328.00 3 6.9270e+00 1.0660e-02 2.1869e-02 -6.0000e+00 4.2957e-02 4.7965e-02 1.1969e-02 1.1176e-02 -6.0000e+00 4.6134e-02 -4.6093e-04 7.1938e-03 5.5490e-03 -6.0000e+00 2.7648e-02 -7.3401e-03 3.5844e-03 2.0592e-03 -6.0000e+00 1.1985e-02 5.7969e-05 -3.4039e-04 2.4387e-04 2.3220e-05 -6.0000e+00 8.6844e-04 -5.8348e-02 5.4238e-05 12 8 8 10 0 0 99.98 19.87 0.49 -0.05835 -0.06091 13 13 1 5 0 2265.210 26.11 20.00 19.87 35.34 38.0 982.88 -8543 -4476 -5937 8827 -8315 -4041 7729 7115 -769 4681 -3272 -11767 -5419 -3994 4221 -85 -5232 1151 -2835 8079 -2964 1056 -2152 3856 3750 2014 -93 -1729 -1233 -6213 4181 -1172 2592 1197 -2722 -1137 -6919 546 -604 1767 -3519 -1486 1359 -282 2339 -1391 1989 -3717 -354 969 322 -122 1702 1706 677 3470 1301 233 177 753 695 547 3751 891 1409 -1141 557 454 1254 1080 1671 852 -57 434 -840 222 -342 -666 -2219 -1002 -997 -2035 -2134 -3094 -253 -907 -516 108 -373 -152 288 -368 -1305 1534 -2049 46 1429 273 -407 -364 155 -2118 771 91 87 -1037 -1013 456 270 287 667 574 390 109 -739 1484 1498 799 252 -1254 648 147 -753 417 49 667 424 962 560 870 -35 835 -489 -666 -144 -131 -299 -735 90 -267 151 -276 -930 -514 -710 880 -896 -397 698 707 -90 543 -413 -1655 -789 -653 722 -17 -1134 244 -647 1718 -715 246 -522 916 931 523 -25 -444 -302 -1567 994 -315 719 343 -787 -320 -2187 185 -241 786 -1791 -781 717 -153 1247 -766 1049 -2023 -184 500 174 -70 1012 1057 436 2220 859 155 117 495 471 394 2813 718 1130 -891 401 320 921 870 1442 772 -52 385 -713 171 -245 -458 -1593 -778 -854 -1913 -2135 -3276 -276 -1054 -626 134 -465 -185 329 -392 -1306 1459 -2080 50 1658 346 -543 -485 196 -2573 884 107 107 -1367 -1391 644 397 444 1065 925 614 163 -1044 1965 1972 1091 364 -1926 1004 229 -1154 613 69 905 557 1260 768 1253 -53 1284 -776 -1094 -246 -232 -544 -1367 168 -491 269 -483 SS 20250602T141805.0Z 9284.595891 151 1 30.01 2 50.86 76.02 132.97 55.08 0.00 1 0.00 1 0 17 8.533e-03 5.630e-03 5.966e-03 2.306e-03 1.905778e-01 1.242879e-03 2.076354e-03 -6.000000e+00 5.255762e-03 229.19 -2.00 3.11 -2.00 317.02 0.00e+00 2.225723e-04 1.686890e-04 9.772437e-05 -6.000000e+00 2.383202e-04 293.48 -2.00 20.00 -2.00 316.12 0.00e+00 1.581 0.000 302.00 328.00 3 4.7362e+00 3.2635e-03 1.7616e-02 -6.0000e+00 1.3043e-02 2.7486e-03 3.6416e-03 8.8876e-03 -6.0000e+00 1.4006e-02 2.1667e-02 2.1337e-03 4.3270e-03 -6.0000e+00 8.3939e-03 -1.3484e-02 1.0285e-03 1.2115e-03 -6.0000e+00 3.6401e-03 8.2246e-04 6.4548e-05 7.5435e-05 1.6548e-05 -6.0000e+00 2.6360e-04 -5.9659e-02 9.4629e-05 11 1 0 11 8 0 99.99 19.88 0.10 -0.05966 -0.05917 736 736 1 5 0 40.760 26.11 20.01 19.88 36.87 38.0 982.87 190 -428 -1299 -1706 216 246 2016 1692 2314 255 -382 -1000 996 287 471 -1079 -892 472 -394 111 5 1230 1549 268 1132 -326 1250 -194 1075 798 2017 1984 892 -940 -1945 -547 -1884 -869 -476 -1545 -1617 -1336 -551 -1319 -402 -1028 -926 -640 -939 -640 66 509 518 1041 245 937 458 -312 782 855 1553 1485 1526 712 416 -207 -109 543 1288 1638 222 478 335 287 -50 322 -372 -167 193 -483 -691 -1866 -1727 -1746 -839 -653 -364 371 92 273 266 457 80 592 462 636 766 273 69 -394 -406 -934 -194 -141 -578 -705 -761 -307 -142 697 162 221 -58 -187 249 341 501 495 128 -215 -153 -125 -196 95 111 312 520 678 390 323 -268 -94 -2 248 -41 37 122 -48 -108 -114 -258 -292 28 -68 -211 -265 30 33 273 252 376 44 -67 -178 188 61 110 -276 -237 128 -111 32 1 359 456 83 364 -110 411 -62 320 231 590 615 295 -321 -650 -178 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