File name: Pandora141s1_Calakmul_20250416_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250417T060425.5Z 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_20250416_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: 20250416 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 20250416T133343.7Z 9237.565089 292 1 0.73 2 64.05 87.32 87.40 241.07 0.00 1 0.00 1 0 17 1.278e-02 6.843e-03 9.348e-03 3.656e-03 2.707988e-01 1.985107e-03 2.928787e-03 -6.000000e+00 7.868628e-03 229.61 -2.00 3.11 -2.00 316.77 0.00e+00 5.539636e-04 2.556734e-04 2.634753e-04 -6.000000e+00 3.549190e-04 292.11 -2.00 20.00 -2.00 315.91 0.00e+00 2.271 0.000 302.00 328.00 3 2.4273e+00 5.1917e-03 2.5207e-02 -6.0000e+00 1.9555e-02 -1.4664e-02 5.7770e-03 1.2533e-02 -6.0000e+00 2.1014e-02 2.3059e-03 3.3868e-03 6.0768e-03 -6.0000e+00 1.2576e-02 -3.9703e-03 1.6285e-03 1.6859e-03 -6.0000e+00 5.4281e-03 3.8007e-03 -2.8855e-04 1.1636e-04 2.2714e-05 -6.0000e+00 3.9509e-04 -4.9289e-02 -9.5201e-05 12 9 1 12 1 1 89.52 19.88 0.19 -0.04929 -0.05146 5 495 1 5 0 121.210 26.00 20.00 19.88 31.68 36.7 986.93 -34 -2312 -148 -935 318 -7866 1422 -1310 2340 -2125 -5109 -1754 -3014 1518 -1203 599 654 1324 -228 349 -393 310 2120 -1145 505 1156 1163 -966 1034 -984 1052 3212 -345 -607 -2327 -2027 -1253 -400 891 -312 -1342 -908 -349 -891 847 -888 -374 -920 -1037 -928 585 849 590 1923 -466 1013 102 84 234 878 1099 1757 2045 972 535 411 -301 749 1046 1469 811 799 335 152 58 -937 -272 -594 -649 -1298 -382 -1618 -1599 -2430 -748 -448 -71 205 -416 750 105 403 -517 594 32 -188 192 -370 -456 -562 -819 -1262 -160 -5 -478 -740 -714 -131 486 402 400 445 95 434 525 651 843 719 744 -480 -235 338 35 147 20 896 555 75 205 474 -322 -247 -227 69 102 25 -32 42 79 -527 -348 -486 -5 -344 -22 -135 42 -1085 189 -197 371 -365 -913 -316 -601 328 -295 156 179 373 -67 105 -122 96 659 -380 173 404 404 -330 336 -323 353 1131 -132 -236 -896 -778 -507 -180 448 -174 -803 -562 -220 -569 536 -568 -236 -577 -647 -584 377 571 414 1379 -347 760 78 64 177 663 847 1408 1717 848 468 348 -247 605 877 1310 763 772 325 144 53 -815 -224 -478 -538 -1153 -361 -1632 -1680 -2654 -840 -522 -85 250 -508 894 121 442 -545 616 35 -213 230 -469 -596 -732 -1035 -1537 -190 -6 -598 -961 -953 -179 683 585 596 667 141 618 718 866 1120 978 1048 -701 -348 497 50 208 27 1205 734 100 282 676 -474 -370 -345 107 163 41 -53 72 134 -887 -576 -790 SS 20250416T134612.9Z 9237.573761 301 1 60.06 2 61.09 88.25 89.93 242.07 0.00 1 0.00 1 0 17 7.804e-03 4.907e-03 3.877e-03 9.951e-04 2.462131e-01 5.362323e-04 2.650257e-03 -6.000000e+00 4.806960e-03 229.61 -2.00 3.11 -2.00 317.92 0.00e+00 1.585178e-04 9.145322e-05 1.843425e-04 -6.000000e+00 2.167436e-04 292.11 -2.00 20.00 -2.00 317.01 0.00e+00 2.059 0.000 302.00 328.00 3 3.6602e+00 1.4340e-03 2.2925e-02 -6.0000e+00 1.1947e-02 -2.2676e-02 1.6153e-03 1.1532e-02 -6.0000e+00 1.2836e-02 2.2631e-02 9.8929e-04 5.5975e-03 -6.0000e+00 7.6819e-03 -1.4168e-02 4.9689e-04 1.5599e-03 -6.0000e+00 3.3169e-03 1.4055e-03 1.7122e-05 3.2768e-05 2.0268e-05 -6.0000e+00 2.4122e-04 -4.9467e-02 8.2579e-06 11 1 0 11 8 0 100.00 19.90 0.08 -0.04947 -0.04934 1537 1537 1 5 0 38.990 26.11 19.97 19.90 32.38 36.6 987.06 2323 -1132 -1260 -1779 -892 -27 115 849 1451 -595 -1735 411 -659 195 -204 -1113 -379 -102 765 89 140 576 584 1123 1085 264 -584 -272 -42 918 1203 2343 876 -412 -1480 -1469 -1826 -678 -260 -1266 -1387 -1125 -962 -819 -775 -768 -916 -790 -658 56 292 534 796 475 477 599 637 -38 626 752 1288 1568 1498 1053 137 -216 -175 403 1081 1139 566 465 378 222 203 41 -319 -101 -282 -408 -1072 -1455 -1528 -1367 -1010 -412 -312 206 -21 227 373 355 417 617 395 628 568 220 -103 -498 -612 -785 8 -22 -818 -800 -756 -219 58 512 319 33 -8 -36 239 453 567 448 235 -251 -240 -107 -155 110 280 224 601 723 381 160 -163 -166 -195 141 -55 -33 106 38 -66 -179 -167 -262 194 -106 -120 -163 -75 -2 10 79 147 -64 -193 46 -82 27 -32 -193 -69 -19 148 18 29 119 123 248 252 64 -141 -63 -9 198 269 558 225 -109 -386 -382 -512 -217 -97 -544 -650 -552 -485 -418 -396 -391 -460 -389 -320 28 149 288 452 282 292 375 404 -24 395 474 834 1074 1100 810 106 -159 -121 275 774 894 480 410 335 192 165 30 -222 -68 -196 -312 -908 -1342 -1498 -1405 -1096 -470 -372 252 -26 269 417 370 406 589 393 675 665 278 -137 -657 -772 -937 10 -26 -1027 -1056 -1038 -311 86 792 512 53 -12 -53 336 610 762 623 345 -386 -378 -167 -238 164 401 309 801 970 535 238 -253 -262 -315 236 -95 -60 197 71 -125 -334 -305 -469 SS 20250416T135159.0Z 9237.577766 304 1 60.10 2 59.72 88.69 91.10 242.51 0.00 1 0.00 1 0 17 7.623e-03 5.338e-03 9.837e-04 3.467e-04 2.353753e-01 1.869241e-04 2.540922e-03 -6.000000e+00 4.695168e-03 229.61 -2.00 3.11 -2.00 317.08 0.00e+00 3.124461e-04 2.581855e-05 1.619714e-04 -6.000000e+00 2.117224e-04 292.11 -2.00 20.00 -2.00 316.21 0.00e+00 1.975 0.000 302.00 328.00 3 2.3026e+00 4.9110e-04 2.1946e-02 -6.0000e+00 1.1669e-02 -1.3958e-02 5.4841e-04 1.0951e-02 -6.0000e+00 1.2537e-02 8.5049e-03 3.2350e-04 5.3174e-03 -6.0000e+00 7.5034e-03 -7.8370e-03 1.5741e-04 1.4794e-03 -6.0000e+00 3.2395e-03 6.0264e-03 -5.7068e-05 1.1173e-05 1.9457e-05 -6.0000e+00 2.3565e-04 -4.9541e-02 -2.2150e-05 10 0 0 10 0 0 99.99 19.90 0.13 -0.04954 -0.04997 1771 1771 1 5 0 33.850 26.11 20.01 19.90 32.73 36.7 987.14 837 -771 -1049 -1868 -2234 -1053 -165 890 748 -950 -1474 -921 -263 113 -103 -441 -337 162 199 457 293 471 651 650 921 416 -292 -418 414 992 1213 1777 897 -978 -2015 -1933 -1575 -468 -289 -757 -1129 -956 -793 -637 -492 -569 -771 -814 -456 -54 449 651 824 605 522 688 604 241 347 690 1180 1637 1749 1064 363 -79 -171 423 1126 1002 439 332 374 211 70 -168 -516 -443 -532 -662 -1254 -1650 -1819 -1549 -961 -529 -211 103 35 250 263 203 218 551 480 536 535 225 -109 -388 -628 -648 -43 -49 -639 -727 -721 -266 223 561 398 217 73 -9 231 496 554 537 249 -175 -167 -157 -63 112 204 98 537 652 349 195 -210 -321 -139 119 -55 -85 151 -18 -50 -164 -195 -307 102 -104 -144 -245 -268 -119 -19 115 107 -144 -227 -145 -45 22 -23 -106 -85 42 54 127 83 134 189 197 294 137 -96 -131 122 284 361 565 306 -346 -696 -662 -581 -183 -134 -405 -663 -547 -466 -377 -291 -335 -447 -495 -272 -32 279 399 534 411 366 492 439 175 249 494 870 1281 1470 880 300 -67 -133 323 904 892 399 314 355 193 64 -141 -396 -325 -406 -559 -1189 -1607 -1898 -1707 -1052 -616 -259 130 43 303 296 224 221 545 496 605 627 288 -146 -521 -797 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