File name: Pandora141s1_Calakmul_20241216_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20241217T161717.0Z 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 v1.8.60 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20241216_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: 20241216 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 20241216T132811.7Z 9116.561246 287 1 60.11 2 77.13 120.38 87.69 298.45 0.00 1 0.00 1 0 25 1.293e-01 8.212e-03 1.393e-01 6.085e-03 4.555928e-01 3.345863e-03 4.935844e-03 -6.000000e+00 7.837383e-02 224.95 -2.00 3.11 -2.00 320.13 0.00e+00 2.965253e-03 1.165592e-03 8.493843e-04 -6.000000e+00 3.574881e-03 291.09 -2.00 20.00 -2.00 319.38 0.00e+00 4.368 0.000 302.00 328.00 3 4.7615e+00 1.0008e-02 4.6946e-02 -6.0000e+00 1.9273e-01 6.2022e-02 1.2311e-02 2.1559e-02 -6.0000e+00 2.0767e-01 -1.1292e-02 1.0046e-02 1.1299e-02 -6.0000e+00 1.2469e-01 -3.9093e-03 5.1579e-03 3.8381e-03 -6.0000e+00 5.4409e-02 3.9518e-05 -2.1175e-03 1.9808e-04 5.2504e-05 -6.0000e+00 3.9896e-03 -6.2131e-02 -4.6604e-05 11 8 0 10 0 0 99.98 19.96 0.28 -0.06213 -0.07804 26 26 1 5 0 2311.510 26.11 20.00 19.96 26.92 33.7 986.21 9452 30703 -54268 -25224 -29441 31452 -69582 -20892 -28290 -12861 -45778 -46615 -19763 -5897 -12227 -39976 -28654 -7413 3432 5746 -1544 5368 -22444 -11991 11550 417 -12792 4728 -4329 3339 2968 10782 29258 5625 638 4952 -12142 -6181 -1267 4663 -3580 -6498 -462 2133 2670 -1158 2505 4330 3180 1220 175 -619 4355 -1678 3539 2486 869 -110 -481 2988 389 -1581 630 1909 2822 -436 177 100 892 1241 430 1104 1075 -241 2303 542 383 -1768 -619 -1916 -1037 -1810 -439 -2262 -716 -269 -102 801 46 141 689 138 -146 349 -922 1003 199 -993 556 -1 -692 -1992 -162 -1050 -579 -1435 -1422 -96 807 456 769 332 42 322 115 249 1090 1038 -735 118 -7 -203 -118 425 -33 -701 844 901 598 529 -213 145 -487 -235 -278 -514 593 202 -171 -302 160 -248 88 270 -1130 -398 -456 266 -1581 -336 -542 -229 -1162 -1291 -497 -158 -416 -2043 -1462 -336 150 259 -77 255 -1420 -729 602 25 -891 275 -270 200 196 753 1919 488 58 429 -1322 -738 -172 699 -649 -1304 -92 426 540 -246 520 894 679 276 43 -167 1211 -527 1112 818 297 -38 -166 993 137 -608 262 848 1290 -202 79 45 423 652 249 666 652 -143 1252 276 181 -838 -308 -1088 -662 -1297 -337 -1871 -620 -246 -98 785 46 136 628 118 -120 283 -805 955 213 -1186 699 -2 -852 -2311 -176 -1150 -663 -1749 -1817 -127 1134 690 1234 553 69 516 176 366 1581 1553 -1169 194 -12 -336 -190 663 -51 -1032 1196 1295 918 878 -379 268 -938 -470 -583 -1126 1321 458 -391 -678 346 -521 SS 20241216T140332.1Z 9116.585788 306 1 59.81 2 70.06 124.53 94.67 301.14 0.00 1 0.00 1 0 25 1.402e-02 5.165e-03 8.715e-03 1.496e-03 3.111340e-01 8.013322e-04 3.378156e-03 -6.000000e+00 8.509173e-03 224.95 -2.00 3.11 -2.00 318.41 0.00e+00 4.145122e-04 1.621621e-04 3.056177e-04 -6.000000e+00 3.877922e-04 291.09 -2.00 20.00 -2.00 317.56 0.00e+00 2.900 0.000 302.00 328.00 3 4.0658e+00 2.1562e-03 3.1287e-02 -6.0000e+00 2.0926e-02 1.0703e-02 2.4568e-03 1.4441e-02 -6.0000e+00 2.2539e-02 1.9776e-02 1.6150e-03 7.1043e-03 -6.0000e+00 1.3534e-02 -1.3006e-02 8.4405e-04 2.0293e-03 -6.0000e+00 5.9133e-03 3.8181e-04 -3.8996e-04 4.8948e-05 2.6634e-05 -6.0000e+00 4.3260e-04 -6.6133e-02 1.3619e-04 10 0 0 10 0 0 99.98 19.94 0.15 -0.06613 -0.06906 162 162 1 5 0 369.160 26.11 20.00 19.94 28.94 33.9 986.64 -7027 600 -5405 -4838 -3220 -2708 2429 -2224 4033 -4087 939 -2369 -51 912 -205 -67 -1633 1946 767 918 -1556 675 493 -150 811 288 -790 -1450 894 -251 1873 1682 709 -71 -2994 -2536 -2607 361 -1279 -1178 -1733 -895 -927 -1063 -207 -592 -28 -1090 -439 152 -224 1074 868 712 1014 349 925 669 70 529 1339 1527 1972 1253 774 -107 -228 119 787 1165 744 694 278 637 52 -36 -300 -815 -581 -933 -1100 -1646 -1519 -1680 -1082 -456 -478 163 190 464 357 474 -265 510 166 477 716 189 -21 -291 -599 -935 39 -307 -777 -745 -812 -364 236 666 497 398 210 72 44 237 508 226 159 -138 -242 29 0 -7 177 182 191 499 410 303 -104 -332 -178 152 24 -65 191 -42 89 -264 -136 -295 -378 33 -334 -288 -174 -139 123 -131 250 -293 66 -179 -4 87 -23 -8 -206 250 104 130 -232 99 74 -24 137 51 -142 -252 156 -44 338 333 143 -15 -638 -572 -584 91 -391 -420 -691 -377 -405 -473 -92 -264 -12 -478 -190 67 -104 526 456 396 546 195 523 380 39 296 764 929 1296 885 558 -74 -149 76 530 868 610 598 242 535 42 -26 -198 -556 -383 -686 -913 -1522 -1421 -1670 -1139 -509 -565 197 231 546 394 482 -268 500 171 505 843 232 -28 -382 -751 -1158 45 -364 -982 -943 -1081 -506 345 1038 773 634 328 113 64 325 688 318 238 -218 -392 47 -1 -10 255 266 268 701 574 455 -166 -553 -305 256 43 -121 366 -83 175 -511 -255 -532 SS 20241216T140846.1Z 9116.589422 309 1 3.96 2 69.04 125.21 95.69 301.58 0.00 1 0.00 1 0 17 1.520e-02 6.602e-03 1.080e-02 3.134e-03 2.962332e-01 1.672494e-03 3.236607e-03 -6.000000e+00 9.221695e-03 224.95 -2.00 3.11 -2.00 317.31 0.00e+00 5.327222e-04 2.518141e-04 1.501196e-04 -6.000000e+00 4.203059e-04 291.09 -2.00 20.00 -2.00 316.47 0.00e+00 2.768 0.000 302.00 328.00 3 3.3540e+00 4.3763e-03 2.9817e-02 -6.0000e+00 2.2678e-02 3.7461e-03 4.9079e-03 1.3639e-02 -6.0000e+00 2.4428e-02 1.5546e-02 2.9773e-03 6.7048e-03 -6.0000e+00 1.4668e-02 -9.4814e-03 1.4999e-03 1.9252e-03 -6.0000e+00 6.4070e-03 9.0341e-04 -5.4557e-04 9.9754e-05 2.5514e-05 -6.0000e+00 4.6898e-04 -6.5591e-02 8.1034e-05 12 9 1 12 9 1 99.84 19.94 0.08 -0.06559 -0.06969 8 137 1 5 0 439.340 26.11 20.02 19.94 29.37 33.8 986.71 -1977 -2608 -1049 -4881 4283 -5166 4164 -2322 181 -2080 -3023 2454 -6031 4518 -106 2518 -2224 2068 1218 331 1543 1561 1673 -659 3637 -908 -632 -1205 -502 -990 -226 3038 -1402 638 -3941 -2050 -2422 -81 592 -1321 -929 -1160 769 -817 -351 -719 -102 -195 -1051 472 -496 921 -357 -218 927 1074 984 -502 342 225 911 1686 1750 473 709 516 461 256 1292 801 506 1064 454 152 -64 148 -505 -647 -942 -693 -879 -2041 -1482 -2066 -1561 -860 -322 949 132 454 270 345 120 607 727 452 1084 72 281 -501 -889 -903 -382 -324 -1063 -634 -647 -288 480 719 524 329 203 108 489 41 450 270 36 106 -343 -799 -40 262 38 362 501 563 67 180 349 -231 84 -40 332 -307 178 -58 -33 -255 -266 -295 -182 -266 -110 -514 387 -487 374 -244 21 -255 -383 307 -896 697 -19 492 -481 451 278 79 373 381 415 -174 975 -261 -182 -339 -136 -266 -63 885 -452 209 -1314 -668 -834 -31 256 -648 -490 -642 431 -469 -202 -415 -58 -111 -597 268 -294 567 -232 -147 638 753 700 -362 243 160 658 1264 1386 393 594 421 361 199 1033 687 461 996 429 141 -57 124 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