File name: Pandora141s1_Calakmul_20250530_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250531T060324.1Z 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_20250530_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: 20250530 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 20250530T131217.5Z 9281.550203 99 1 30.65 2 65.88 73.76 109.39 54.15 0.00 1 0.00 1 0 17 1.865e-02 5.707e-03 1.495e-02 3.194e-03 2.918377e-01 1.722683e-03 3.155030e-03 -6.000000e+00 1.148679e-02 229.32 -2.00 3.11 -2.00 318.04 0.00e+00 5.252653e-04 3.113248e-04 4.084894e-04 -6.000000e+00 5.206959e-04 293.39 -2.00 20.00 -2.00 317.13 0.00e+00 2.429 0.000 302.00 328.00 3 5.3998e+00 4.6196e-03 2.7068e-02 -6.0000e+00 2.8515e-02 1.0748e-04 5.2212e-03 1.3739e-02 -6.0000e+00 3.0625e-02 6.4932e-03 3.2774e-03 6.6454e-03 -6.0000e+00 1.8349e-02 -7.8610e-03 1.6803e-03 1.8396e-03 -6.0000e+00 7.9492e-03 1.6099e-04 -4.9432e-04 1.0367e-04 2.3397e-05 -6.0000e+00 5.7617e-04 -5.7563e-02 9.7359e-06 10 0 0 10 0 0 99.95 19.87 0.30 -0.05756 -0.06128 13 13 1 5 0 2356.910 26.11 20.02 19.87 32.92 37.9 984.65 -4719 -4157 -3792 5763 -1160 -4815 -6606 -6799 2458 8546 -6166 1612 1668 53 -323 4019 -1454 3403 1052 -743 -1249 -622 2039 -2295 1566 853 -110 629 -2288 272 332 3992 2354 -666 -2318 -635 -3191 -70 -865 -85 -932 -1854 -483 -1446 329 -1946 -829 -1359 -1260 269 -285 783 183 583 1911 578 807 -369 864 436 1125 911 2183 1253 705 480 -457 306 760 1644 560 542 930 91 629 -397 -188 -660 -192 -776 -395 -1859 -2103 -1123 -895 -502 -284 264 -74 176 -192 -244 -165 -562 158 168 963 84 132 -660 -494 -790 35 -79 -558 -388 -344 -294 193 832 417 179 241 6 399 651 673 191 173 -12 24 -211 -178 94 164 29 495 592 133 -76 -288 -37 -399 -380 -157 -341 367 76 73 -48 -64 -121 -320 -309 -291 389 -78 -320 -466 -535 196 680 -576 146 168 6 -43 572 -232 544 179 -134 -232 -116 378 -466 324 184 -24 131 -471 54 69 876 564 -169 -584 -156 -860 -21 -307 -34 -413 -872 -232 -710 160 -962 -403 -655 -604 129 -143 415 103 342 1145 359 508 -235 540 273 720 617 1566 949 540 354 -323 212 552 1292 475 478 822 79 515 -305 -134 -458 -137 -609 -339 -1743 -2092 -1159 -969 -569 -335 318 -90 208 -216 -259 -165 -556 162 184 1136 107 176 -880 -634 -962 41 -95 -700 -509 -468 -413 282 1264 657 286 378 9 572 897 924 271 255 -19 37 -329 -274 140 238 40 674 810 190 -114 -450 -60 -652 -640 -274 -614 674 143 137 -88 -117 -214 SS 20250530T131943.5Z 9281.555365 105 1 31.02 2 64.18 74.12 108.03 55.05 0.00 1 0.00 1 0 17 5.348e-02 1.099e-02 4.318e-02 8.366e-03 2.735240e-01 4.519004e-03 2.967785e-03 -6.000000e+00 3.295115e-02 229.32 -2.00 3.11 -2.00 318.27 0.00e+00 -3.089151e-04 8.601799e-04 3.805482e-04 -6.000000e+00 1.493016e-03 293.39 -2.00 20.00 -2.00 317.35 0.00e+00 2.282 0.000 302.00 328.00 3 6.8518e+00 1.2189e-02 2.5452e-02 -6.0000e+00 8.1800e-02 7.4262e-03 1.3833e-02 1.3051e-02 -6.0000e+00 8.7837e-02 2.6706e-02 8.7403e-03 6.2481e-03 -6.0000e+00 5.2632e-02 -1.8961e-02 4.4817e-03 1.8505e-03 -6.0000e+00 2.2814e-02 4.4213e-05 7.4610e-05 2.7576e-04 2.3080e-05 -6.0000e+00 1.6521e-03 -5.9731e-02 6.7901e-05 12 8 8 10 0 0 99.76 19.87 0.70 -0.05973 -0.05917 9 9 1 5 0 3445.820 26.00 20.02 19.87 33.21 37.9 984.72 7110 19300 -1265 5067 -13783 22688 1978 -2326 -22243 23302 -5714 3599 -14089 10995 6329 -15815 -5851 -16444 -7166 4336 1148 -1689 6543 6893 1652 4293 -2911 -636 -4654 -1655 -1855 11361 7818 6059 -3563 5250 3837 -166 1847 -2134 -2132 -3088 3619 912 -4236 1685 -1307 -3586 1291 2599 2412 -735 -1818 -99 1803 -543 1994 -87 1534 3289 21 932 3036 3562 301 338 175 -209 242 -268 1052 1417 1103 -872 -534 -2230 -1203 -2105 71 -1134 -1127 -1519 -2800 -1350 -2219 55 23 610 435 128 108 -907 -505 1068 735 1019 1064 -38 -454 700 -696 -1213 -1405 80 -454 -88 -427 -911 885 -426 454 -146 1435 -514 982 1079 250 414 -208 -791 84 10 17 792 -16 -167 605 -35 1878 194 -211 -408 -357 560 60 -437 -1064 342 -294 213 458 -594 412 1096 -90 327 -986 1104 123 -168 -2152 1549 -511 306 -1563 1097 749 -2543 -910 -2955 -1228 692 194 -296 1086 1202 321 846 -614 -126 -916 -312 -365 2138 1636 1324 -833 1122 891 -46 598 -824 -905 -1397 1589 416 -2032 763 -602 -1659 566 1138 1106 -370 -982 -55 1023 -323 1180 -52 904 1906 13 602 2071 2541 222 238 116 -137 167 -205 857 1201 943 -738 -424 -1657 -816 -1385 47 -841 -926 -1367 -2720 -1363 -2389 61 27 733 524 150 120 -946 -490 1001 718 1077 1231 -48 -605 922 -887 -1458 -1634 93 -564 -115 -583 -1301 1302 -667 734 -240 2276 -787 1398 1467 340 581 -308 -1237 134 16 26 1185 -24 -233 814 -47 2624 290 -332 -660 -591 952 107 -813 -2046 661 -574 409 855 -1087 SS 20250530T133216.5Z 9281.564080 114 1 12.02 2 61.32 74.71 105.69 56.50 0.00 1 0.00 1 0 17 8.759e-03 6.024e-03 1.129e-03 4.938e-04 2.474750e-01 2.679248e-04 2.671863e-03 -6.000000e+00 5.395643e-03 229.32 -2.00 3.11 -2.00 316.46 0.00e+00 3.215167e-04 3.232453e-05 4.069441e-05 -6.000000e+00 2.445560e-04 293.39 -2.00 20.00 -2.00 315.61 0.00e+00 2.074 0.000 302.00 328.00 3 1.5771e+00 6.9748e-04 2.3011e-02 -6.0000e+00 1.3394e-02 -3.3772e-03 7.7490e-04 1.1475e-02 -6.0000e+00 1.4384e-02 5.8401e-03 4.5087e-04 5.5766e-03 -6.0000e+00 8.6187e-03 -6.4224e-03 2.1452e-04 1.5683e-03 -6.0000e+00 3.7348e-03 1.1076e-02 -2.7456e-04 1.5709e-05 2.1530e-05 -6.0000e+00 2.7061e-04 -6.0756e-02 -5.9683e-05 12 1 1 12 1 1 99.88 19.87 0.14 -0.06076 -0.06282 256 641 1 5 0 46.760 26.11 20.00 19.87 33.62 38.0 984.74 333 -581 -1640 -2860 -3473 -2106 -713 94 42 -1349 -2239 -1277 -906 -215 -56 -426 -445 33 586 568 667 734 886 645 1138 543 59 -58 719 1264 1632 2584 1783 -144 -1304 -1290 -1229 -135 -69 -711 -973 -915 -630 -589 -328 -544 -803 -820 -594 -224 202 522 659 441 340 409 325 -26 235 499 982 1318 1486 907 200 -164 -158 564 1107 1049 388 142 201 50 0 -35 -179 34 -95 -265 -1023 -1624 -2044 -1816 -1188 -721 -490 -55 9 327 695 838 976 1282 918 658 394 179 -186 -396 -615 -703 25 84 -679 -721 -826 -493 18 344 149 -97 -205 -175 211 587 739 728 357 -75 -169 -207 -224 16 152 236 700 812 531 337 -34 -202 9 356 81 21 132 -128 -221 -357 -284 -483 51 -99 -288 -484 -541 -336 -117 16 8 -263 -445 -259 -201 -54 -15 -123 -135 10 190 191 228 252 309 236 438 202 24 -22 258 441 589 995 740 -58 -514 -540 -513 -65 -37 -410 -618 -613 -408 -386 -215 -377 -549 -548 -389 -148 138 356 476 335 267 311 251 -20 179 401 765 1090 1322 809 180 -139 -133 459 945 940 382 139 197 47 0 -32 -148 28 -77 -238 -979 -1632 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