File name: Pandora141s1_Calakmul_20250526_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250527T060313.6Z 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_20250526_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: 20250526 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 20250526T132609.0Z 9277.559826 117 1 59.76 2 62.72 75.15 54.50 73.44 0.00 1 0.00 1 0 17 9.895e-02 1.361e-02 6.630e-02 1.209e-02 2.583752e-01 6.538945e-03 2.828410e-03 -6.000000e+00 6.102424e-02 229.49 -2.00 3.11 -2.00 318.35 0.00e+00 3.278164e-04 1.259258e-03 3.506357e-04 -6.000000e+00 2.761201e-03 293.28 -2.00 20.00 -2.00 317.43 0.00e+00 2.170 0.000 302.00 328.00 3 7.4543e+00 1.7716e-02 2.4179e-02 -6.0000e+00 1.5156e-01 -1.4459e-02 2.0096e-02 1.2287e-02 -6.0000e+00 1.6272e-01 3.7070e-02 1.2611e-02 5.9483e-03 -6.0000e+00 9.7483e-02 -2.0007e-02 6.4527e-03 1.6634e-03 -6.0000e+00 4.2241e-02 2.7624e-05 -1.1107e-04 4.0314e-04 2.1695e-05 -6.0000e+00 3.0568e-03 -5.8304e-02 1.8673e-04 12 9 8 11 8 0 99.98 19.87 0.70 -0.05830 -0.05914 71 71 1 5 0 841.630 26.11 20.02 19.87 33.46 38.1 984.49 -5255 1526 -14906 -18640 80807 107 58257 -9727 16803 11947 5287 20739 -21148 6564 9468 7138 -7875 12955 -4396 -539 -1121 -4303 -1352 -9160 5917 -4072 3347 -4081 3876 10490 -11726 -1459 -3173 7098 -1526 4940 -1686 -3186 -818 68 2922 -1866 2367 -982 -2569 -419 -394 -3889 2786 3008 -1400 5623 -2029 1212 -1902 1151 -1474 -618 3111 1172 4392 2037 3719 -2368 1301 -63 1846 5514 -1505 1103 -1111 2127 -344 342 -1859 -1687 172 -1435 935 -323 738 -2805 -2073 -1924 -2069 -1145 -716 1217 -2417 626 -838 480 205 1109 1039 2261 1700 161 1060 -215 -1145 183 120 -858 -169 -575 -1110 168 368 264 190 -137 442 -18 2242 -930 35 -995 1071 796 526 -753 -1581 1626 -1330 1570 340 744 432 924 -1030 -557 68 69 -586 -1540 1377 -339 18 -684 828 114 -372 111 -1304 -1629 2685 7 2357 -801 1202 942 451 1587 -2593 709 1124 950 -1275 1807 -747 -92 -197 -786 -245 -1870 1110 -869 667 -839 709 1773 -2528 -308 -731 1528 -348 1051 -407 -897 -265 25 1154 -815 1027 -447 -1190 -190 -177 -1769 1178 1280 -648 2593 -1067 648 -1084 655 -875 -364 1756 674 2523 1270 2460 -1746 932 -44 1176 3325 -1021 805 -899 1749 -291 280 -1464 -1218 112 -908 597 -230 578 -2488 -1955 -1913 -2187 -1277 -838 1445 -2974 729 -931 487 193 1012 986 2308 1921 201 1386 -284 -1455 215 136 -999 -207 -750 -1523 239 546 415 312 -228 714 -28 3145 -1277 47 -1405 1570 1233 840 -1214 -2511 2424 -1955 2150 455 993 607 1373 -1636 -906 113 118 -1064 -2952 2651 -676 37 -1356 1575 212 SS 20250526T134130.2Z 9277.570488 129 1 3.15 2 59.19 75.87 51.12 73.79 0.00 1 0.00 1 0 17 7.945e-03 5.869e-03 2.290e-03 1.163e-03 2.339365e-01 6.325454e-04 2.541139e-03 -6.000000e+00 4.897517e-03 229.49 -2.00 3.11 -2.00 316.06 0.00e+00 2.724595e-04 6.924523e-05 1.310942e-04 -6.000000e+00 2.217194e-04 293.28 -2.00 20.00 -2.00 315.23 0.00e+00 1.945 0.000 302.00 328.00 3 2.1058e+00 1.6372e-03 2.1620e-02 -6.0000e+00 1.2163e-02 6.8365e-04 1.8130e-03 1.0821e-02 -6.0000e+00 1.3061e-02 1.0997e-03 1.0486e-03 5.2607e-03 -6.0000e+00 7.8243e-03 -3.4491e-03 4.8925e-04 1.4638e-03 -6.0000e+00 3.3886e-03 7.5373e-03 -1.9345e-04 3.6828e-05 2.1023e-05 -6.0000e+00 2.4547e-04 -5.7998e-02 4.4349e-05 12 1 1 12 1 1 99.98 19.87 0.15 -0.05800 -0.05945 45 878 1 5 0 68.330 26.11 19.98 19.87 33.88 38.1 984.71 -239 -481 -1101 -1839 -2000 -1493 -444 1182 502 -473 -1132 -1573 497 -314 422 -179 150 340 223 750 670 626 953 1336 747 908 -373 -79 566 661 1247 1410 644 -703 -2200 -2368 -1774 -870 -602 -914 -1004 -745 -759 -582 -234 -564 -727 -971 -278 -167 466 858 944 760 633 1045 409 256 153 592 1130 1338 1930 1051 523 56 -301 141 1137 953 587 344 486 372 -19 -237 -404 -618 -907 -830 -1230 -1712 -1826 -1734 -1035 -375 -339 221 28 18 81 97 47 292 198 508 446 221 155 -340 -748 -640 -145 88 -552 -684 -599 -313 250 713 539 334 71 136 182 469 551 746 344 -220 -144 -96 -42 204 197 188 425 563 356 103 -320 -357 -150 74 -39 -75 122 82 -78 -277 -174 -361 -47 -104 -244 -390 -388 -274 -83 242 114 -114 -277 -397 124 -89 135 -58 51 120 82 282 257 241 371 541 320 402 -166 -33 224 255 495 599 294 -309 -1020 -1084 -808 -455 -348 -576 -656 -512 -536 -415 -166 -400 -507 -662 -195 -118 321 625 728 582 501 842 336 210 125 480 937 1120 1726 949 473 51 -253 121 968 899 576 338 479 372 -17 -213 -349 -510 -774 -741 -1171 -1716 -1963 -1886 -1190 -439 -419 269 34 22 94 107 50 298 210 562 522 272 201 -441 -924 -765 -173 107 -692 -875 -804 -420 352 1015 802 485 103 193 248 603 701 983 466 -317 -206 -136 -61 282 270 244 552 730 467 144 -452 -520 -224 110 -59 -119 192 132 -126 -441 -278 -560 SS 20250526T134629.3Z 9277.573950 132 1 4.12 2 58.05 76.09 50.02 73.89 0.00 1 0.00 1 0 17 1.836e-02 9.621e-03 1.656e-02 7.635e-03 2.276634e-01 4.146954e-03 2.511084e-03 -6.000000e+00 1.132033e-02 229.49 -2.00 3.11 -2.00 316.30 0.00e+00 -8.687971e-05 4.825174e-04 2.056785e-04 -6.000000e+00 5.123952e-04 293.28 -2.00 20.00 -2.00 315.46 0.00e+00 1.883 0.000 302.00 328.00 3 5.4063e+00 1.0778e-02 2.1005e-02 -6.0000e+00 2.8115e-02 1.5763e-02 1.1959e-02 1.0650e-02 -6.0000e+00 3.0188e-02 5.2452e-03 6.9345e-03 5.1647e-03 -6.0000e+00 1.8084e-02 -4.1291e-03 3.2724e-03 1.4857e-03 -6.0000e+00 7.8343e-03 2.9555e-04 -1.5475e-05 2.4300e-04 2.1306e-05 -6.0000e+00 5.6729e-04 -5.9379e-02 5.5264e-05 12 9 9 12 1 1 999.00 19.87 0.33 -0.05938 -0.05950 1 29 1 5 0 2057.470 26.11 20.00 19.87 34.09 38.1 984.79 -1534 -1140 -4325 -2282 1291 6361 6962 -7378 5780 -2929 404 -458 -2025 -3936 1281 1984 2718 2150 -1688 2209 -1804 -2615 -349 2231 2657 897 2490 1772 2974 1911 -45 1706 2374 290 -4279 -3790 -1618 -2157 -1642 -1274 -601 -1948 -2104 137 -945 -911 -122 -354 1082 -227 -1950 1088 2569 390 1683 984 414 -1945 1004 406 1630 956 2172 155 168 -343 575 -151 741 445 2212 1131 -796 -847 1053 664 -169 -1071 -2549 -1187 737 -1780 -1794 -1063 329 -970 175 207 219 947 -567 -370 -710 1199 1158 1778 -464 -112 450 -243 -847 -849 -185 -12 -1631 -1912 -725 -494 -240 1325 659 589 865 -526 -169 -34 149 330 179 547 31 -104 -4 713 -376 580 834 711 622 621 -986 -498 -860 817 -349 -356 157 840 -384 -213 70 -686 -269 -215 -857 -426 216 972 1096 -1447 1106 -631 86 -100 -482 -1057 363 602 856 700 -583 760 -653 -958 -127 828 1025 360 983 678 1079 684 -17 664 966 122 -1820 -1591 -705 -1058 -909 -780 -392 -1331 -1471 95 -660 -634 -84 -238 712 -151 -1351 770 1875 298 1304 779 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