File name: Pandora257s1_AustinTX_20241115_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20241116T070039.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Paul Walter Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 257 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora257_OF_v3d20221216.txt Instrument calibration file used: Pandora257s1_CF_v2d20230110.txt Level 1 file used: Pandora257s1_AustinTX_20241115_L1_smca1c2d20230110p1-8.txt Full location name: St. Edward's University Short location name: AustinTX Country of location: United States Location latitude [deg]: 30.2285 Location longitude [deg]: -97.7544 Location altitude [m]: 205 Local noon date: 20241115 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: OOB session based on clearance session 1 First and last pixel inside fitting window: 228 370 Nominal wavelengths inside fitting window [nm]: 305.0779 305.2183 305.3587 305.4991 305.6395 305.7799 305.9203 306.0607 306.2010 306.3413 306.4817 306.6220 306.7623 306.9026 307.0429 307.1832 307.3234 307.4637 307.6039 307.7442 307.8844 308.0246 308.1648 308.3050 308.4452 308.5854 308.7255 308.8657 309.0058 309.1459 309.2860 309.4261 309.5662 309.7063 309.8464 309.9865 310.1265 310.2665 310.4066 310.5466 310.6866 310.8266 310.9666 311.1065 311.2465 311.3865 311.5264 311.6663 311.8062 311.9461 312.0860 312.2259 312.3658 312.5057 312.6455 312.7854 312.9252 313.0650 313.2048 313.3446 313.4844 313.6242 313.7639 313.9037 314.0434 314.1832 314.3229 314.4626 314.6023 314.7420 314.8816 315.0213 315.1610 315.3006 315.4402 315.5799 315.7195 315.8591 315.9986 316.1382 316.2778 316.4173 316.5569 316.6964 316.8359 316.9754 317.1149 317.2544 317.3939 317.5334 317.6728 317.8123 317.9517 318.0911 318.2305 318.3699 318.5093 318.6487 318.7880 318.9274 319.0667 319.2061 319.3454 319.4847 319.6240 319.7633 319.9025 320.0418 320.1810 320.3203 320.4595 320.5987 320.7379 320.8771 321.0163 321.1555 321.2946 321.4338 321.5729 321.7121 321.8512 321.9903 322.1294 322.2685 322.4075 322.5466 322.6856 322.8247 322.9637 323.1027 323.2417 323.3807 323.5197 323.6587 323.7976 323.9366 324.0755 324.2144 324.3533 324.4922 324.6311 324.7700 324.9089 --------------------------------------------------------------------------------------- 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 20241115T132753.0Z 9085.561030 266 1 54.74 2 84.72 115.24 99.40 300.17 0.00 1 0.00 1 0 25 7.932e-01 3.734e-02 2.802e-01 9.429e-03 8.293059e-01 6.256660e-03 9.787083e-03 -6.000000e+00 5.338342e-01 224.88 -2.00 3.25 -2.00 322.32 0.00e+00 3.893494e-02 4.171388e-03 5.435810e-03 -6.000000e+00 3.369807e-02 287.13 -2.00 20.00 -2.00 321.86 0.00e+00 9.421 0.010 302.00 328.00 3 5.5904e-02 2.7257e-02 1.2190e-01 -6.0000e+00 1.3380e+00 1.5958e+00 3.2917e-02 1.1761e-01 -6.0000e+00 1.4805e+00 -1.9824e+00 2.2297e-02 2.0243e-02 -6.0000e+00 8.6601e-01 7.7509e-01 1.0813e-02 3.4918e-02 -6.0000e+00 3.5673e-01 1.9515e-05 -2.4838e-03 3.3332e-04 6.1822e-04 -6.0000e+00 3.0495e-02 2.6550e-02 -5.8204e-05 12 8 8 10 0 0 31.94 25.77 1.14 0.02655 0.00789 66 6 1 5 0 829.350 34.50 19.99 25.77 16.82 0.3 865.62 301486 900000 900000 900000 -55015 14063 275150 900000 900000 -42505 900000 900000 900000 900000 900000 900000 143442 900000 900000 900000 900000 900000 900000 900000 218878 73984 -47614 900000 -60787 900000 135391 900000 52702 900000 900000 900000 -32203 100416 219388 293100 900000 900000 900000 26556 41139 128869 -20626 900000 900000 126734 72404 900000 51411 379011 21388 21730 29374 900000 1888 55810 10551 75873 900000 56709 -8455 77942 112097 62026 28091 64807 19461 47371 -1266 26127 24541 29580 4236 -18187 10908 4300 -10701 -6894 -13078 -3893 26310 10860 -2197 -1331 10357 13603 -12787 -13851 -7006 -11235 -339 8419 10779 2144 -1758 -4456 3421 -2956 2983 -6790 463 -11059 -5462 -5275 -556 -308 -365 1044 -3981 3873 636 -1323 -734 -3101 -2462 -1129 1353 -1152 5612 7415 -1684 151 1982 3794 5429 -1640 -586 -379 3486 1652 -2508 -693 -1848 1146 1668 1086 -347 -2097 -1546 2751 900000 900000 900000 -5843 595 2511 900000 900000 -1587 900000 900000 900000 900000 900000 900000 2618 900000 900000 900000 900000 900000 900000 900000 1998 1166 -2370 900000 -3732 900000 1685 900000 1924 900000 900000 900000 -2431 2083 2002 2675 900000 900000 900000 1575 2178 2940 -2184 900000 900000 3586 3766 900000 3660 3459 2069 2023 2413 900000 188 3260 1030 4293 900000 4865 -1474 5833 6036 5717 3897 6743 3357 6226 -260 3767 3248 3401 607 -3452 1782 895 -3037 -2139 -4727 -1368 7204 3638 -870 -533 3677 4531 -5275 -5524 -2596 -4625 -143 3857 5725 1434 -1340 -3563 2423 -2056 1808 -4425 290 -8246 -4152 -4410 -499 -314 -418 1277 -4812 4750 790 -1657 -932 -3837 -3178 -1482 1724 -1607 7062 8865 -2138 185 2393 4796 7620 -2572 -1024 -726 6924 3582 -6037 -1722 -4783 2918 4197 2650 -810 -4702 -3336 SS 20241115T133837.4Z 9085.568489 269 1 54.69 2 82.63 116.71 101.28 301.69 0.00 1 0.00 1 0 25 5.693e-01 1.188e-02 1.597e-01 2.047e-03 7.320387e-01 1.209403e-03 7.908048e-03 -6.000000e+00 3.626755e-01 224.88 -2.00 3.25 -2.00 321.31 0.00e+00 5.084192e-03 6.778563e-04 3.640020e-03 -6.000000e+00 1.869644e-02 287.13 -2.00 20.00 -2.00 320.73 0.00e+00 7.209 0.005 302.00 328.00 3 2.6960e-01 4.4619e-03 7.9954e-02 -6.0000e+00 8.9827e-01 1.5794e-01 6.3013e-03 4.1201e-02 -6.0000e+00 9.7918e-01 -2.1366e-01 6.2013e-03 2.3153e-02 -6.0000e+00 5.8236e-01 7.8070e-02 2.8606e-03 7.9504e-03 -6.0000e+00 2.4048e-01 1.9411e-04 -5.4349e-04 6.5893e-05 1.6967e-04 -6.0000e+00 2.0768e-02 2.7267e-02 -1.0799e-04 12 8 8 10 0 0 28.19 25.78 0.48 0.02727 0.02318 242 23 1 5 0 225.970 34.50 20.00 25.78 17.44 0.3 870.22 -193039 -185710 -16392 900000 -307007 -267847 -197584 -139146 900000 -199338 900000 -18817 -12351 900000 900000 32877 -37165 900000 900000 900000 28010 61254 900000 900000 -64252 -65566 -70038 33906 -79185 -20096 -17625 17058 -26118 40884 -485 190301 -34254 -4253 -6677 11020 4355 7636 27981 -10246 -1905 4172 -9658 29499 5339 2581 1417 19745 4323 13330 -411 1199 -3 9027 517 4209 -1804 4897 11509 4988 630 3254 6723 3872 3395 4869 1769 4230 -531 1983 1923 1212 -1047 -3959 -1625 -1728 -2255 -1724 -1689 -1549 1415 -262 -425 129 784 1502 -1466 -410 -1873 -1186 -887 975 625 391 88 -1302 -424 -1173 -492 -890 -278 -2183 -1375 -963 -268 397 365 210 -219 259 215 279 330 75 199 112 -14 -4 941 992 58 658 24 914 1252 -184 -199 -279 162 -140 -283 -251 -344 330 418 -177 -133 -139 -427 -1189 -1211 -33 900000 -7063 -4270 -1682 -731 900000 -2347 900000 -51 -40 900000 900000 144 -378 900000 900000 900000 195 317 900000 900000 -1408 -1515 -1730 304 -2351 -376 -383 309 -822 701 -13 796 -1522 -165 -317 509 241 444 1405 -784 -139 296 -822 1799 447 244 152 1967 555 1697 -64 191 0 1362 84 671 -323 907 2241 1144 160 825 1696 1072 1045 1497 608 1469 -191 659 650 383 -328 -1342 -553 -690 -1056 -914 -988 -977 926 -170 -288 89 534 984 -1027 -273 -1259 -838 -644 804 598 390 94 -1432 -441 -1140 -484 -874 -282 -2216 -1483 -1126 -345 526 533 326 -325 403 323 412 490 116 300 173 -22 -6 1447 1472 85 923 34 1348 2045 -320 -359 -546 337 -294 -632 -589 -786 761 956 -415 -296 -295 -892 SS 20241115T134900.2Z 9085.575696 272 1 54.75 2 80.64 118.16 103.07 303.21 0.00 1 0.00 1 0 17 3.418e-01 7.899e-03 2.653e-02 9.222e-04 6.246006e-01 5.109387e-04 6.680460e-03 -6.000000e+00 2.147234e-01 224.88 -2.00 3.25 -2.00 320.36 0.00e+00 2.423230e-03 2.075574e-04 1.441540e-03 -6.000000e+00 1.001533e-02 287.13 -2.00 20.00 -2.00 319.67 0.00e+00 5.850 0.002 302.00 328.00 3 2.0995e-01 1.5895e-03 6.4307e-02 -6.0000e+00 5.2804e-01 6.3355e-02 2.0107e-03 3.0792e-02 -6.0000e+00 5.7214e-01 -9.1116e-02 1.7616e-03 1.6053e-02 -6.0000e+00 3.4274e-01 2.9712e-02 8.7213e-04 5.2590e-03 -6.0000e+00 1.4291e-01 8.0171e-04 -4.2659e-04 2.9530e-05 8.7535e-05 -6.0000e+00 1.2333e-02 2.6641e-02 -1.0526e-04 11 8 0 10 0 0 29.35 25.78 0.37 0.02664 0.02343 524 51 1 5 0 104.470 34.50 20.00 25.78 17.75 0.2 871.88 -136132 -116297 -117390 -106847 -151820 -148413 -119422 -99069 -35301 -113201 -24721 -83014 -66041 -8695 -22384 -25138 -24177 3632 -12464 6393 -9049 -23503 4202 -6795 -21410 -24707 -26318 -19078 -29103 -12654 -14252 -6149 -7992 -2268 -7786 5283 -10276 -4888 -334 835 5 1829 2242 -718 -253 469 -2529 4515 1568 1131 1903 4534 2342 4359 1855 1571 2087 1944 49 1213 1141 2611 3499 2499 1030 1473 1894 1549 1560 1932 1245 1207 527 303 -77 -700 -988 -1579 -973 -974 -1812 -1601 -2156 -1635 -450 -330 -188 177 716 509 -130 -178 -560 -324 237 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