File name: Pandora141s1_Calakmul_20250331_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250401T060922.4Z 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_20250331_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: 20250331 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 20250331T124610.2Z 9221.532063 62 1 60.50 2 78.09 89.35 99.06 67.46 0.00 1 0.00 1 0 17 3.138e-01 1.177e-02 2.844e-01 9.765e-03 5.290422e-01 5.603628e-03 5.538246e-03 -6.000000e+00 1.958405e-01 228.48 -2.00 3.11 -2.00 320.74 0.00e+00 2.692522e-03 2.385935e-03 7.367397e-04 -6.000000e+00 9.173406e-03 291.68 -2.00 20.00 -2.00 320.04 0.00e+00 4.696 0.000 302.00 328.00 3 4.8995e+00 1.8263e-02 5.1542e-02 -6.0000e+00 4.8778e-01 5.6242e-02 2.3506e-02 2.5257e-02 -6.0000e+00 5.2613e-01 -5.1611e-02 2.0661e-02 1.3516e-02 -6.0000e+00 3.1206e-01 1.5066e-02 1.0244e-02 5.0843e-03 -6.0000e+00 1.3371e-01 2.3554e-05 -5.8436e-04 3.2250e-04 6.6072e-05 -6.0000e+00 9.8459e-03 -5.2024e-02 -1.7758e-05 12 8 8 10 0 0 99.99 19.90 0.30 -0.05202 -0.05642 35 35 1 5 0 1728.100 26.11 20.01 19.90 29.87 37.1 980.71 -66694 -25716 -83820 -57857 -60519 -68743 900000 -115195 900000 -111714 173748 900000 -84151 49797 -18490 85103 50407 900000 -36062 -23879 83008 -27571 31101 20069 10655 4021 83891 16477 -28294 1689 31835 23337 -15408 71819 -8114 29262 -17107 13980 8757 -9900 19367 -4886 9832 -8898 8994 5725 19978 -13433 -6391 4557 3083 7004 -3257 6430 -4590 -2888 1113 7790 -1114 -753 5338 5717 3022 338 345 3658 3040 -6846 18 5710 497 579 -2984 895 -1415 2133 1025 -3278 4957 -2911 -463 -2332 -15 -1509 -566 -894 736 -1058 -998 1699 -1968 549 523 2209 -837 -811 21 633 757 -901 726 -324 755 -799 -1215 -361 -1238 218 -979 1721 133 658 407 129 -286 -901 1061 -1032 281 50 117 488 -1399 1167 -500 843 2 1079 -192 -175 -1 -131 -196 -556 864 -564 642 -207 240 -705 251 -68 -665 -245 -1204 -645 -655 -790 900000 -2430 900000 -2730 1653 900000 -2242 474 -399 816 747 900000 -1382 -863 1157 -1084 739 565 351 148 1494 538 -1393 66 1066 974 -1031 2270 -532 1372 -1337 960 752 -1179 1959 -667 1227 -1361 1184 791 2456 -2306 -1063 723 538 1295 -722 1394 -1163 -750 285 1876 -289 -194 1349 1563 942 118 125 1261 1031 -2606 7 2354 235 285 -1517 421 -633 846 386 -1288 1958 -1419 -252 -1447 -10 -1075 -426 -716 609 -916 -862 1391 -1576 404 369 1564 -662 -721 21 697 889 -1077 814 -340 744 -806 -1297 -405 -1474 272 -1330 2483 209 1065 658 202 -428 -1312 1523 -1565 443 81 192 786 -2230 1764 -742 1193 3 1541 -300 -299 -2 -251 -394 -1177 1902 -1311 1516 -500 577 -1665 567 -147 SS 20250331T130406.1Z 9221.544515 71 1 60.16 2 73.84 90.78 95.25 68.93 0.00 1 0.00 1 0 17 5.662e-02 5.159e-03 5.351e-02 3.463e-03 4.071574e-01 1.898034e-03 4.318462e-03 -6.000000e+00 3.473646e-02 228.48 -2.00 3.11 -2.00 319.73 0.00e+00 1.073674e-03 5.736935e-04 5.942015e-04 -6.000000e+00 1.569751e-03 291.68 -2.00 20.00 -2.00 318.93 0.00e+00 3.533 0.000 302.00 328.00 3 4.4367e+00 5.5018e-03 3.8989e-02 -6.0000e+00 8.6108e-02 2.0240e-03 6.5753e-03 1.9323e-02 -6.0000e+00 9.2591e-02 2.8626e-02 5.0358e-03 9.5972e-03 -6.0000e+00 5.5451e-02 -1.8708e-02 2.6162e-03 2.7791e-03 -6.0000e+00 2.3995e-02 1.2723e-04 -7.2174e-04 1.1418e-04 3.6610e-05 -6.0000e+00 1.7495e-03 -5.2900e-02 -6.9286e-05 11 1 0 11 8 0 99.99 19.88 0.27 -0.05290 -0.05832 156 156 1 5 0 385.550 26.11 20.01 19.88 30.26 37.1 980.83 -26975 38846 -9622 10726 -13862 -1418 -17937 -8157 -10591 -19636 -6826 -11993 8825 -12597 -9069 -1498 -5035 -3469 -6543 2667 976 6931 1689 -2590 -1746 -491 978 -601 -22 -695 4227 3071 1210 680 4524 -3720 -750 -129 -1101 -926 -2641 175 -1105 -1422 -606 -2452 -1267 -1770 676 310 1869 -1119 1518 876 609 1293 216 558 -883 891 555 2231 1854 1818 691 -60 17 754 1454 511 1415 245 503 -18 -548 -368 303 -150 -539 -769 -1245 -1477 -1964 -2114 -530 143 -325 164 -10 679 373 496 -595 1169 798 10 912 360 29 -158 -657 -850 57 -692 -711 -918 -321 -364 177 332 400 89 -91 266 245 331 438 445 227 -58 -80 -108 -115 76 14 118 564 495 254 130 -337 -434 -431 -187 -73 -146 571 -71 2 -122 -31 8 -573 511 -207 187 -286 -26 -398 -186 -274 -590 -190 -378 265 -544 -444 -77 -293 -213 -437 172 66 451 119 -203 -145 -42 83 -51 -2 -59 372 306 135 79 504 -449 -95 -19 -195 -190 -609 42 -279 -369 -158 -655 -336 -474 180 86 544 -362 517 318 232 507 87 226 -358 356 230 977 891 935 367 -31 8 375 772 304 905 165 339 -12 -337 -208 159 -78 -297 -477 -871 -1143 -1642 -1873 -491 139 -334 173 -11 691 360 448 -514 994 724 10 1012 438 38 -204 -814 -986 63 -780 -844 -1152 -420 -500 256 513 652 148 -150 420 366 477 630 662 355 -94 -133 -176 -184 118 21 170 793 707 387 212 -584 -782 -801 -362 -147 -308 1224 -156 3 -263 -65 16 SS 20250331T131731.8Z 9221.553840 78 1 60.18 2 70.66 91.87 92.37 69.97 0.00 1 0.00 1 0 17 1.285e-02 5.031e-03 1.714e-03 2.776e-04 3.475623e-01 1.496930e-04 3.711628e-03 -6.000000e+00 7.881463e-03 228.48 -2.00 3.11 -2.00 318.33 0.00e+00 1.063697e-03 2.965876e-05 3.308801e-04 -6.000000e+00 3.561348e-04 291.68 -2.00 20.00 -2.00 317.47 0.00e+00 2.984 0.000 302.00 328.00 3 8.7850e-01 4.0398e-04 3.2946e-02 -6.0000e+00 1.9537e-02 -1.6460e-03 4.5926e-04 1.6201e-02 -6.0000e+00 2.1008e-02 3.7574e-03 3.0004e-04 7.9479e-03 -6.0000e+00 1.2581e-02 -7.1139e-03 1.5588e-04 2.3129e-03 -6.0000e+00 5.4447e-03 8.1322e-03 -4.7751e-04 8.8827e-06 2.8826e-05 -6.0000e+00 3.9690e-04 -5.2894e-02 -4.6585e-05 10 0 0 10 0 0 99.95 19.90 0.15 -0.05289 -0.05648 1864 1864 1 5 0 32.190 26.11 20.00 19.90 31.06 37.3 981.08 -1721 -2134 -2195 -3727 -5589 -4666 -3708 -2315 -2555 -3734 -3970 -3849 -1517 -1101 -141 -528 -529 -138 318 399 165 403 636 824 698 -28 -727 -1046 -434 167 610 1262 666 -1182 -2594 -2742 -2205 -926 -362 -952 -1029 -877 -661 -571 -425 -251 -651 -675 -345 -42 441 801 940 704 639 733 643 157 340 556 1190 1683 1921 1171 598 50 -171 357 1073 1087 619 407 359 155 10 -216 -604 -562 -733 -727 -1198 -1618 -1839 -1631 -976 -551 -163 239 175 318 367 211 87 408 398 449 464 282 -72 -318 -676 -773 -40 -90 -637 -796 -759 -267 207 557 419 239 74 77 202 472 548 560 251 -177 -125 -111 -52 116 160 68 461 578 324 145 -255 -345 -212 52 -136 -91 153 10 3 -126 -99 -234 -79 -110 -117 -195 -276 -220 -183 -126 -155 -243 -267 -275 -121 -103 -15 -64 -69 -19 46 60 26 63 102 140 126 -5 -138 -193 -77 30 115 263 139 -261 -568 -599 -520 -252 -117 -360 -398 -360 -281 -247 -185 -109 -283 -292 -149 -19 206 402 505 401 379 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