File name: Pandora141s1_Calakmul_20240812_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20260427T091106.8Z 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 v1.8.88 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20240812_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: 20240812 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 20240812T133826.9Z 8990.568367 95 1 61.58 2 63.06 82.56 151.59 99.78 0.00 1 0.00 1 0 17 1.858e-02 6.410e-03 1.174e-02 2.872e-03 2.728914e-01 1.527127e-03 2.957196e-03 -6.000000e+00 1.128796e-02 227.30 -2.00 3.11 -2.00 317.86 0.00e+00 6.325485e-04 2.654144e-04 4.074753e-04 -6.000000e+00 5.189601e-04 293.76 -2.00 20.00 -2.00 316.94 0.00e+00 2.195 0.000 302.00 328.00 3 6.0323e+00 4.0694e-03 2.4555e-02 -6.0000e+00 2.7876e-02 7.7953e-03 4.6071e-03 1.2665e-02 -6.0000e+00 3.0050e-02 1.0240e-02 2.8349e-03 6.1722e-03 -6.0000e+00 1.8038e-02 -9.2669e-03 1.4333e-03 1.7191e-03 -6.0000e+00 7.7867e-03 1.1002e-04 -1.4116e-04 9.3502e-05 2.2196e-05 -6.0000e+00 5.7505e-04 -8.6896e-03 7.8460e-06 11 8 0 10 0 0 99.88 20.98 0.36 -0.00869 -0.00975 17 17 1 5 0 3621.980 26.94 20.00 20.98 34.84 21.9 985.08 -4719 -1247 496 -3000 4534 1200 2440 -6302 2744 -14418 199 -2982 -1028 -251 -2998 -942 -3521 3523 -1065 41 2715 -1706 1009 -270 -255 767 -252 1420 2307 1759 1694 2075 822 -1956 -2259 -3182 -133 860 666 521 -1122 -405 74 -1020 -426 -445 -421 -1630 -127 -28 -271 1195 9 393 1139 530 205 -368 93 833 1337 1775 1842 1261 746 -639 -856 495 1032 1392 404 948 -188 541 53 -435 -540 -1451 -1053 -1178 -923 -1717 -1411 -1909 -446 115 258 196 -536 406 367 868 -489 586 -32 403 522 -12 -40 -696 -646 -432 41 -677 -685 -1378 -1056 -140 774 664 636 543 -26 97 12 329 630 751 55 215 235 -132 -31 558 -261 119 357 402 525 128 -694 -233 98 -152 -294 -91 195 -208 41 -304 215 -249 -391 -107 42 -249 325 87 188 -590 257 -1646 20 -330 -126 -35 -481 -161 -648 634 -208 8 537 -355 211 -60 -60 181 -59 314 489 377 386 511 217 -532 -598 -864 -39 289 260 229 -538 -201 37 -526 -219 -228 -213 -821 -63 -14 -144 667 5 242 715 342 134 -240 60 538 894 1258 1391 988 579 -476 -611 352 782 1146 355 851 -169 467 43 -329 -382 -1024 -783 -963 -824 -1654 -1428 -2030 -494 134 309 239 -652 475 405 894 -484 577 -34 452 633 -16 -53 -916 -809 -514 48 -820 -872 -1839 -1458 -199 1140 1022 1005 859 -40 143 17 445 857 1059 82 330 364 -203 -46 811 -370 162 477 547 749 192 -1079 -368 159 -255 -510 -163 355 -383 76 -550 379 -431 SS 20240812T134932.5Z 8990.576071 101 1 23.27 2 60.45 83.28 149.12 99.95 0.00 1 0.00 1 0 17 9.182e-03 6.115e-03 3.521e-03 1.412e-03 2.508271e-01 7.561816e-04 2.707650e-03 -6.000000e+00 5.577473e-03 227.30 -2.00 3.11 -2.00 316.71 0.00e+00 5.958061e-04 9.814692e-05 1.616692e-04 -6.000000e+00 2.564461e-04 293.76 -2.00 20.00 -2.00 315.83 0.00e+00 2.018 0.000 302.00 328.00 3 4.2521e+00 1.9697e-03 2.2530e-02 -6.0000e+00 1.3774e-02 2.4598e-02 2.2021e-03 1.1488e-02 -6.0000e+00 1.4848e-02 7.2219e-03 1.2874e-03 5.6146e-03 -6.0000e+00 8.9130e-03 -7.2780e-03 6.1769e-04 1.5846e-03 -6.0000e+00 3.8472e-03 7.9290e-04 -2.4176e-05 4.5168e-05 2.1332e-05 -6.0000e+00 2.8417e-04 -8.0208e-03 9.1222e-06 12 1 1 12 9 1 99.99 20.98 0.17 -0.00802 -0.00820 42 111 1 5 0 540.890 26.94 20.00 20.98 35.56 21.9 985.22 -3335 588 -1845 -2337 -1402 -1218 26 277 -193 -1372 -1428 -2091 885 -787 -324 -114 -848 -245 906 749 435 897 -363 1293 1492 601 216 -230 578 389 1416 2244 535 -1190 -2350 -2306 -2359 -333 -498 -412 -858 -876 -777 -345 -188 -552 -835 -770 159 -172 847 1043 975 744 892 639 558 304 -4 715 1193 1786 1944 988 511 -208 -329 263 1081 589 555 213 274 -58 -201 -347 -1061 -545 -699 -916 -1624 -2209 -1764 -1591 -850 -258 118 174 417 339 243 102 -123 520 169 530 549 190 -27 -214 -1019 -752 70 -449 -647 -702 -688 -161 523 693 396 463 91 177 82 555 614 507 93 -168 35 40 -68 217 209 103 544 564 162 165 -366 -457 -76 -43 7 27 206 36 77 -405 -192 -404 -495 89 -288 -344 -190 -162 4 43 -32 -240 -253 -391 179 -182 -82 -31 -241 -72 271 230 136 281 -118 432 518 213 76 -78 187 126 479 804 204 -459 -892 -886 -984 -156 -264 -240 -530 -559 -505 -225 -122 -359 -537 -487 99 -109 556 716 697 549 671 489 430 234 -3 548 940 1472 1682 880 450 -176 -268 214 926 541 535 210 268 -55 -182 -296 -860 -435 -583 -824 -1574 -2273 -1885 -1761 -977 -308 145 216 512 406 277 111 -128 538 182 607 669 243 -36 -277 -1273 -901 82 -546 -820 -920 -928 -223 745 1019 595 694 133 249 110 727 811 690 132 -244 52 58 -97 303 284 136 706 742 221 234 -533 -677 -115 -67 10 45 342 60 128 -669 -312 -644 SS 20240812T135437.1Z 8990.579596 104 1 60.05 2 59.25 83.60 147.99 100.04 0.00 1 0.00 1 0 17 9.217e-03 5.624e-03 2.190e-03 7.501e-04 2.442628e-01 4.000235e-04 2.635338e-03 -6.000000e+00 5.599681e-03 227.30 -2.00 3.11 -2.00 317.17 0.00e+00 3.315931e-04 5.779697e-05 1.944651e-04 -6.000000e+00 2.574365e-04 293.76 -2.00 20.00 -2.00 316.26 0.00e+00 1.948 0.000 302.00 328.00 3 3.7596e+00 1.0505e-03 2.1813e-02 -6.0000e+00 1.3829e-02 1.7252e-02 1.1794e-03 1.1225e-02 -6.0000e+00 1.4907e-02 9.6453e-03 6.9861e-04 5.4805e-03 -6.0000e+00 8.9483e-03 -8.9915e-03 3.4142e-04 1.5309e-03 -6.0000e+00 3.8628e-03 1.4070e-03 3.8589e-05 2.4266e-05 2.0462e-05 -6.0000e+00 2.8526e-04 -8.2420e-03 2.7429e-05 11 1 0 11 8 0 99.99 20.98 0.18 -0.00824 -0.00795 433 433 1 5 0 138.650 26.94 20.00 20.98 35.99 21.9 985.22 -605 235 -3131 -1172 -3401 -1945 -1000 459 475 -3049 -728 -1935 785 -835 -16 132 -332 864 51 1052 -424 1307 586 1226 622 191 -11 -326 1034 534 1909 1376 717 -1386 -2216 -1954 -1804 39 -883 -753 -991 -759 -669 -583 -511 -688 -781 -955 -36 119 718 597 997 789 671 772 323 394 216 959 1280 1723 1650 746 312 -402 -228 359 1179 810 382 360 558 381 -53 -302 -917 -506 -900 -783 -1360 -1922 -1830 -1449 -795 -501 64 99 341 355 283 115 121 651 198 496 445 251 -74 -445 -750 -664 -4 -476 -825 -768 -533 -177 486 697 428 297 7 97 104 472 404 514 246 -182 0 -56 109 57 190 50 530 604 248 130 -361 -369 -147 83 -106 0 325 13 -1 -279 -183 -367 -73 30 -412 -142 -391 -216 -118 59 66 -455 -107 -303 133 -163 -3 30 -80 214 13 276 -115 350 162 353 188 59 -3 -95 287 149 552 428 236 -465 -727 -648 -654 16 -422 -400 -562 -446 -401 -352 -308 -412 -461 -554 -21 69 434 380 663 543 473 554 235 284 155 690 951 1349 1367 639 264 -324 -175 276 958 714 357 344 529 350 -46 -244 -700 -380 -710 -672 -1271 -1924 -1918 -1581 -906 -596 78 124 420 424 321 122 122 655 209 562 542 324 -98 -581 -936 -791 -4 -577 -1051 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