File name: Pandora141s1_Calakmul_20250410_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250411T060611.3Z 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_20250410_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: 20250410 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 20250410T124009.7Z 9231.527890 219 1 18.72 2 77.69 85.42 122.80 285.70 0.00 1 0.00 1 0 17 1.399e-01 6.218e-03 1.382e-01 3.510e-03 5.084246e-01 1.946264e-03 5.304995e-03 -6.000000e+00 8.604011e-02 229.23 -2.00 3.11 -2.00 320.15 0.00e+00 2.317913e-03 6.998215e-04 7.429817e-04 -6.000000e+00 3.883646e-03 291.95 -2.00 20.00 -2.00 319.40 0.00e+00 4.554 0.000 302.00 328.00 3 2.9114e+00 5.8801e-03 4.9863e-02 -6.0000e+00 2.1364e-01 -2.6935e-02 7.3057e-03 2.4130e-02 -6.0000e+00 2.2964e-01 1.8944e-02 6.2456e-03 1.2538e-02 -6.0000e+00 1.3746e-01 -1.7151e-02 3.1971e-03 4.3479e-03 -6.0000e+00 5.9373e-02 2.0780e-04 -6.3371e-04 1.1081e-04 5.4394e-05 -6.0000e+00 4.3257e-03 -5.0182e-02 -1.2219e-04 12 1 1 12 9 1 99.61 19.93 0.19 -0.05018 -0.05494 36 119 1 5 0 505.800 26.11 20.00 19.93 22.51 36.5 989.29 64420 -46452 -30596 -73979 25504 -78143 -50400 23020 -10334 16326 -14836 12106 -41925 18684 -5715 -6615 -17503 -1607 5632 675 -606 1528 6586 -10227 8696 -3121 -10273 2976 443 1666 -3265 4714 -5198 -1599 -4836 -423 1564 -5598 3739 -3955 -103 -4691 26 -1506 274 1422 -2938 -2284 -700 1396 -1278 2347 742 332 1425 671 -586 -805 805 -693 607 2849 2200 3028 -399 892 77 2738 1428 2756 688 832 -62 -1076 239 -836 -291 -741 312 -1147 -1216 -1341 -2064 -1728 -1304 -147 -383 912 -236 1011 831 1179 823 760 1213 396 112 -139 -371 -77 -609 -751 -78 667 -883 -808 -1243 -527 -179 84 505 -366 -123 -497 562 461 594 911 706 -170 -131 -128 152 345 -216 60 452 670 201 -264 39 -446 -300 242 221 -246 46 -138 -314 118 4 44 220 -525 -318 -1143 147 -1185 -634 164 -113 150 -195 138 -948 295 -137 -185 -606 -52 184 25 -23 58 250 -489 376 -158 -565 143 22 85 -197 304 -411 -129 -400 -34 135 -609 446 -589 -16 -842 5 -284 52 271 -591 -466 -146 301 -306 595 207 99 444 219 -198 -273 267 -233 210 1045 894 1318 -185 402 34 1215 694 1467 402 506 -38 -640 132 -432 -142 -363 163 -685 -817 -993 -1652 -1455 -1156 -136 -369 893 -233 964 756 1016 686 644 1097 397 125 -168 -474 -99 -748 -869 -87 742 -1040 -996 -1603 -709 -255 128 804 -602 -201 -790 855 684 884 1393 1125 -281 -218 -209 243 539 -330 89 660 1000 319 -450 70 -833 -578 482 459 -528 100 -305 -696 257 9 90 SS 20250410T124523.9Z 9231.531527 222 1 60.01 2 76.45 85.82 123.96 286.30 0.00 1 0.00 1 0 17 8.579e-02 5.503e-03 5.245e-02 2.179e-03 4.720630e-01 1.203204e-03 5.069855e-03 -6.000000e+00 5.276141e-02 229.23 -2.00 3.11 -2.00 320.05 0.00e+00 1.222833e-03 4.144873e-04 1.615817e-03 -6.000000e+00 2.380843e-03 291.95 -2.00 20.00 -2.00 319.28 0.00e+00 4.166 0.000 302.00 328.00 3 3.3704e+00 3.5991e-03 4.6244e-02 -6.0000e+00 1.3101e-01 -2.6452e-02 4.4156e-03 2.4075e-02 -6.0000e+00 1.4081e-01 1.4505e-02 3.6393e-03 1.1568e-02 -6.0000e+00 8.4291e-02 -1.2424e-02 1.8714e-03 3.1300e-03 -6.0000e+00 3.6411e-02 1.9556e-04 -1.2296e-04 7.0021e-05 4.6074e-05 -6.0000e+00 2.6513e-03 -4.7388e-02 5.8991e-05 10 0 0 10 0 0 99.18 19.93 0.21 -0.04739 -0.04831 96 96 1 5 0 625.010 26.11 20.00 19.93 22.78 36.5 989.28 -51572 7598 -6074 -12034 -24328 -50166 -17986 -36347 -734 -25164 1319 -7622 -18052 -10726 -16971 4995 -14244 5959 -7760 -1837 4548 -4604 -6718 -2391 226 -12712 6146 -7625 962 182 -5234 -975 -1480 -2289 -5158 -3352 -4097 -498 -2208 -570 -1195 -670 1804 -1721 329 -638 1323 -1376 -1436 889 -1407 2059 1441 1951 1014 1864 452 268 245 763 1972 1250 3028 757 1111 181 704 898 1359 2145 775 680 142 123 -309 -407 -1433 -1585 -1537 -1498 -982 -1580 -1756 -1431 -444 -163 106 491 46 137 -48 -288 -384 -462 -446 689 905 377 49 -295 -639 -814 75 -280 -916 -769 -981 53 358 939 875 646 334 -52 324 42 401 104 234 -281 -68 -143 226 105 137 47 -36 585 75 -79 -453 -727 -369 -269 -122 -132 245 165 295 -62 157 -122 -726 70 -68 -139 -300 -777 -222 -601 -10 -453 20 -136 -417 -281 -561 155 -585 219 -347 -82 198 -223 -346 -127 13 -842 346 -478 55 11 -368 -75 -127 -208 -478 -309 -415 -57 -310 -92 -215 -129 354 -358 68 -135 278 -302 -323 205 -359 554 423 608 335 635 160 95 86 268 708 488 1278 351 526 84 319 414 675 1174 464 424 89 74 -176 -214 -715 -790 -821 -903 -663 -1182 -1414 -1215 -396 -153 104 490 46 134 -44 -254 -324 -395 -407 689 999 456 62 -377 -785 -938 83 -314 -1081 -953 -1272 71 512 1426 1401 1061 545 -83 491 62 592 159 372 -463 -112 -235 362 164 207 69 -52 864 119 -134 -810 -1349 -704 -535 -252 -283 535 364 651 -135 331 -250 SS 20250410T125056.4Z 9231.535375 225 1 60.01 2 75.14 86.23 125.18 286.95 0.00 1 0.00 1 0 17 4.014e-02 4.535e-03 1.367e-02 8.311e-04 4.365692e-01 4.545588e-04 4.594167e-03 -6.000000e+00 2.467688e-02 229.23 -2.00 3.11 -2.00 319.62 0.00e+00 1.115542e-03 1.354226e-04 5.726978e-04 -6.000000e+00 1.113873e-03 291.95 -2.00 20.00 -2.00 318.82 0.00e+00 3.822 0.000 302.00 328.00 3 1.9638e+00 1.3091e-03 4.2086e-02 -6.0000e+00 6.1275e-02 -2.7520e-02 1.5623e-03 2.0672e-02 -6.0000e+00 6.5864e-02 1.5569e-02 1.2142e-03 1.0256e-02 -6.0000e+00 3.9426e-02 -1.3763e-02 6.3385e-04 3.0021e-03 -6.0000e+00 1.7027e-02 1.1434e-03 -4.3627e-04 2.6716e-05 3.8397e-05 -6.0000e+00 1.2407e-03 -4.8567e-02 -7.2463e-05 10 0 0 10 0 0 97.95 19.93 0.17 -0.04857 -0.05185 528 528 1 5 0 113.640 26.11 19.99 19.93 23.07 36.3 989.44 -7122 -14073 -10368 -9879 -18377 -11230 -18970 -6351 -16261 -11960 -9139 -11921 -5417 -6873 -2012 -5383 1131 -4467 1872 1160 -1084 168 -819 10 -2407 554 -3849 -127 -1778 -811 -288 1029 1286 -1949 -1170 -2684 -1434 -874 262 -854 -1566 -625 -1170 2 -271 -9 -353 -603 -150 -147 729 659 1094 100 369 187 164 -168 -112 501 582 1744 2078 1654 454 391 130 491 1409 1223 786 307 481 -102 69 -161 -667 -735 -990 -609 -1330 -1599 -1678 -1317 -905 -457 56 336 511 492 578 406 223 486 288 445 397 293 -158 -232 -745 -718 -114 -27 -777 -923 -701 -332 327 589 451 289 105 0 173 420 417 578 54 -188 -289 -138 -63 61 87 -88 438 528 245 -37 -286 -373 -240 111 -172 2 124 41 70 -34 -48 -101 -107 -254 -190 -177 -337 -190 -368 -124 -388 -293 -229 -334 -167 -257 -85 -266 58 -259 109 71 -70 11 -56 1 -192 45 -329 -10 -143 -67 -26 104 143 -233 -137 -322 -185 -132 47 -177 -361 -153 -299 0 -71 -2 -94 -163 -41 -42 223 218 388 38 146 77 69 -71 -47 209 251 798 1035 881 249 209 68 258 791 758 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