File name: Pandora25s1_HoustonTX_20221024_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20250922T160619.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Jimmy Flynn Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 25 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v6d20220503.txt Level 1 file used: Pandora25s1_HoustonTX_20221024_L1_smca1c6d20220503p1-8.txt Full location name: University Of Houston Short location name: HoustonTX Country of location: United States Location latitude [deg]: 29.7200 Location longitude [deg]: -95.3400 Location altitude [m]: 19 Local noon date: 20221024 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Update session 4 for SO2 First and last pixel inside fitting window: 281 423 Nominal wavelengths inside fitting window [nm]: 305.1116 305.2524 305.3931 305.5338 305.6745 305.8152 305.9558 306.0965 306.2371 306.3777 306.5183 306.6589 306.7995 306.9401 307.0806 307.2212 307.3617 307.5022 307.6427 307.7832 307.9236 308.0641 308.2045 308.3449 308.4853 308.6257 308.7661 308.9065 309.0468 309.1872 309.3275 309.4678 309.6081 309.7484 309.8886 310.0289 310.1691 310.3093 310.4495 310.5897 310.7299 310.8701 311.0102 311.1504 311.2905 311.4306 311.5707 311.7108 311.8509 311.9909 312.1310 312.2710 312.4110 312.5510 312.6910 312.8310 312.9709 313.1109 313.2508 313.3907 313.5306 313.6705 313.8104 313.9503 314.0901 314.2300 314.3698 314.5096 314.6494 314.7892 314.9290 315.0687 315.2085 315.3482 315.4879 315.6276 315.7673 315.9070 316.0466 316.1863 316.3259 316.4656 316.6052 316.7448 316.8843 317.0239 317.1635 317.3030 317.4425 317.5821 317.7216 317.8611 318.0005 318.1400 318.2794 318.4189 318.5583 318.6977 318.8371 318.9765 319.1159 319.2552 319.3946 319.5339 319.6732 319.8125 319.9518 320.0911 320.2304 320.3696 320.5089 320.6481 320.7873 320.9265 321.0657 321.2049 321.3441 321.4832 321.6223 321.7615 321.9006 322.0397 322.1788 322.3178 322.4569 322.5960 322.7350 322.8740 323.0130 323.1520 323.2910 323.4300 323.5689 323.7079 323.8468 323.9857 324.1246 324.2635 324.4024 324.5413 324.6801 324.8190 324.9578 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20221024T134840.3Z 8332.575466 84 1 2.75 2 74.48 113.85 64.12 114.85 0.00 1 0.00 1 0 17 6.605e-02 8.060e-03 6.192e-02 7.216e-03 3.930912e-01 3.634860e-03 4.302540e-03 -6.000000e+00 3.758575e-02 226.41 -2.00 3.24 -2.00 318.73 0.00e+00 -5.936884e-04 8.171900e-04 1.589661e-04 -6.000000e+00 1.723587e-03 290.54 -2.00 20.00 -2.00 317.86 0.00e+00 3.668 0.001 302.00 328.00 3 2.9065e+00 9.9874e-03 4.0926e-02 -6.0000e+00 9.2836e-02 5.7538e-03 1.1567e-02 1.8890e-02 -6.0000e+00 1.0078e-01 8.4227e-03 8.0635e-03 9.1778e-03 -6.0000e+00 6.0384e-02 -7.5239e-03 4.2533e-03 2.5967e-03 -6.0000e+00 2.5928e-02 4.8957e-04 -2.6789e-04 2.0716e-04 2.8445e-05 -6.0000e+00 1.7973e-03 -9.2365e-03 8.1031e-05 12 9 1 12 1 1 999.00 24.93 0.32 -0.00924 -0.01125 2 12 1 5 0 856.330 27.35 20.00 24.93 28.97 26.9 972.39 6755 22136 23545 -15384 -14059 -22608 4933 -15539 19585 -4171 -10961 -3582 -406 -11054 199 47243 -5046 14086 6250 395 -6316 -1691 2130 4976 -9021 2332 -5752 610 3160 -5028 -2178 7537 1997 -5261 -5259 -1688 -3106 -901 -4647 -4077 -1556 202 3123 440 924 1090 -1433 -2826 1263 -866 -665 379 157 1966 466 2195 82 287 541 1034 173 1655 -479 -462 496 370 713 310 911 584 1560 2105 1017 -581 1012 -136 57 -561 365 959 -641 -1302 -1687 -537 -1421 250 -1190 -452 -50 289 462 480 71 -667 96 -320 521 1095 521 -1012 149 -1622 -603 -869 -205 -202 -516 -294 698 -751 483 55 -200 -179 236 34 988 56 -264 -880 410 -650 159 233 841 872 1505 730 -32 -289 518 82 -26 665 37 278 -256 -66 -737 -135 -235 -201 -195 210 655 705 -620 -515 -901 168 -730 741 -208 -591 -196 -25 -890 17 2869 -530 1318 661 46 -796 -205 263 647 -1418 346 -913 87 424 -750 -349 1229 375 -1075 -1024 -322 -665 -221 -1398 -1393 -564 75 1172 170 358 424 -567 -1130 493 -355 -291 176 77 1007 250 1192 46 161 297 564 98 991 -314 -321 343 245 455 200 627 443 1251 1729 837 -468 761 -96 37 -369 254 733 -543 -1196 -1632 -535 -1494 272 -1351 -521 -58 323 490 483 69 -649 98 -354 621 1395 693 -1347 189 -1966 -701 -1033 -255 -261 -688 -406 997 -1138 758 88 -316 -272 343 49 1387 82 -400 -1385 645 -1018 245 349 1221 1232 2067 1019 -47 -451 836 136 -45 1151 67 516 -484 -125 -1418 -254 -432 -361 -346 SS 20221024T140652.0Z 8332.588101 94 1 35.11 2 70.91 116.63 60.72 118.03 0.00 1 0.00 1 0 17 1.632e-02 4.759e-03 5.226e-03 9.343e-04 3.266274e-01 4.679794e-04 3.589135e-03 -6.000000e+00 9.289733e-03 226.41 -2.00 3.24 -2.00 318.43 0.00e+00 2.979870e-04 9.472667e-05 1.143926e-04 -6.000000e+00 4.259453e-04 290.54 -2.00 20.00 -2.00 317.55 0.00e+00 3.021 0.000 302.00 328.00 3 2.3323e+00 1.2707e-03 3.3755e-02 -6.0000e+00 2.2946e-02 -8.4315e-03 1.4583e-03 1.5650e-02 -6.0000e+00 2.4908e-02 1.3747e-02 9.5161e-04 7.6122e-03 -6.0000e+00 1.4924e-02 -9.1997e-03 4.9464e-04 2.1706e-03 -6.0000e+00 6.4086e-03 1.7691e-03 6.1276e-05 2.7296e-05 2.4168e-05 -6.0000e+00 4.4415e-04 -8.7390e-03 1.2174e-04 12 1 1 12 1 1 100.00 24.93 0.14 -0.00874 -0.00828 413 124 1 5 0 84.380 27.35 20.00 24.93 30.03 27.0 978.03 -348 -3340 -1894 -392 -6278 -2570 1116 -777 4740 943 -2967 -109 -2139 -326 -1387 -14359 -489 1823 40 1831 448 720 528 1022 224 599 -312 -149 -334 -572 1689 1688 1522 170 -2014 -1198 -1264 448 -989 -1042 -1384 -479 -442 -617 -156 150 -552 -173 -161 -108 515 609 752 938 709 586 568 92 699 456 586 785 1107 1090 554 76 85 -293 418 434 145 306 82 261 475 274 -298 -41 -119 -281 -772 -1133 -1654 -1185 -1049 -742 -238 79 298 477 581 548 431 708 513 311 343 533 65 -170 -351 -658 -520 -176 -563 -795 -592 -527 -215 449 150 95 142 -96 -105 104 156 14 -77 -78 -387 -82 135 142 420 412 258 827 493 487 285 169 -34 132 174 74 -141 154 -118 -253 -222 -415 -292 -19 -207 -118 -22 -341 -134 61 -50 318 65 -214 -8 -191 -34 -159 -2077 -65 250 6 275 69 111 85 176 41 114 -59 -27 -57 -100 315 348 328 38 -449 -267 -300 125 -323 -395 -573 -206 -188 -266 -67 65 -246 -76 -71 -49 237 303 399 525 396 337 333 54 398 260 348 506 749 788 400 53 56 -195 289 341 120 262 70 212 369 199 -200 -26 -83 -216 -650 -1061 -1605 -1206 -1105 -835 -271 92 347 550 619 555 421 682 513 336 401 692 87 -223 -448 -798 -598 -209 -703 -1051 -794 -743 -310 672 239 155 223 -146 -152 143 214 20 -115 -119 -606 -126 209 211 610 571 353 1143 713 738 445 273 -56 222 311 135 -265 287 -221 -478 -403 -747 -514 SS 20221024T141123.7Z 8332.591246 97 1 34.92 2 70.03 117.36 59.88 118.86 0.00 1 0.00 1 0 17 1.909e-01 2.906e-02 6.800e-02 8.763e-03 3.297125e-01 4.441479e-03 3.644768e-03 -6.000000e+00 1.102016e-01 226.41 -2.00 3.24 -2.00 318.50 0.00e+00 -2.777554e-03 9.111600e-04 2.810661e-04 -6.000000e+00 5.054334e-03 290.54 -2.00 20.00 -2.00 317.62 0.00e+00 2.897 0.000 302.00 328.00 3 6.1193e+00 1.2093e-02 3.2851e-02 -6.0000e+00 2.7301e-01 1.1112e-01 1.3953e-02 1.6383e-02 -6.0000e+00 2.9640e-01 -5.0150e-03 9.2138e-03 7.8401e-03 -6.0000e+00 1.7614e-01 -1.9904e-03 4.7710e-03 3.2093e-03 -6.0000e+00 7.5345e-02 4.2403e-05 1.9419e-03 2.6100e-04 3.0759e-05 -6.0000e+00 5.2690e-03 -1.2993e-02 7.8099e-04 12 9 9 12 1 1 99.99 24.93 1.00 -0.01299 0.00160 15 5 1 5 0 2171.610 27.35 20.00 24.93 30.25 27.0 979.53 -26476 138533 24867 91014 -33751 -31293 900000 27731 900000 5327 -40119 42793 -24011 10803 -18121 13399 1903 57998 4534 28570 14267 295 13960 15280 -9543 9498 -5520 -5198 4413 -38838 30976 5953 13625 -8158 -17711 10746 7635 51033 -10057 1297 -6727 7134 9635 4434 4805 6081 -6422 -6630 8505 -6390 10143 -5933 3559 4161 8237 107 3597 -9021 6113 -4200 2790 -7601 -2457 1474 -3054 -553 -1471 311 -2300 3581 715 4855 963 -1165 6945 3378 -7127 1623 -4949 -132 704 -4081 -2978 7579 330 -4438 2499 -2854 -894 -186 543 1005 -17 1 -1584 3898 -302 3559 45 -418 1501 -2821 -3070 -4420 3057 36 -576 -1725 2984 579 1235 509 3269 -692 536 -1613 -1615 -2598 -1907 -1685 -955 2901 1166 1034 366 1065 -2690 3014 -1680 2058 -758 -949 118 2310 -1340 233 20 611 -318 -1563 1880 -2424 1423 -1863 2377 1214 2296 -2390 -2137 900000 1375 900000 383 -4386 2298 -2667 996 -2476 1496 248 4724 629 3295 1909 45 1956 2279 -1914 1669 -1109 -979 713 -9339 4182 1104 2558 -1917 -4299 1993 1604 8414 -3495 470 -2862 2793 3782 1830 1969 2452 -2863 -2916 3234 -2841 4123 -3006 1754 2153 4257 61 2033 -5701 3297 -2464 1577 -5049 -1689 1039 -2240 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