File name: Pandora257s1_AustinTX_20250608_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250609T063551.7Z 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 v1.8.75 Instrument operation file used: Pandora257_OF_v3d20221216.txt Instrument calibration file used: Pandora257s1_CF_v2d20230110.txt Level 1 file used: Pandora257s1_AustinTX_20250608_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: 20250608 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 20250608T121039.2Z 9290.507399 152 1 54.89 2 82.64 67.75 125.50 264.72 0.00 1 0.00 1 0 25 7.489e-01 2.569e-02 3.005e-01 6.569e-03 7.318026e-01 4.213031e-03 9.803937e-03 -6.000000e+00 4.941715e-01 230.96 -2.00 3.25 -2.00 321.84 0.00e+00 2.440326e-02 2.750989e-03 8.597346e-03 -6.000000e+00 2.756134e-02 290.85 -2.00 20.00 -2.00 321.27 0.00e+00 7.210 0.005 302.00 328.00 3 1.8335e+00 1.8126e-02 8.4278e-02 -6.0000e+00 1.2396e+00 5.2706e-01 2.6268e-02 4.9722e-02 -6.0000e+00 1.3508e+00 -6.4723e-01 2.4087e-02 4.2776e-02 -6.0000e+00 8.0319e-01 2.4487e-01 1.0593e-02 2.3526e-02 -6.0000e+00 3.3112e-01 3.4665e-05 -1.0841e-04 2.2969e-04 5.1274e-04 -6.0000e+00 2.7605e-02 2.8983e-02 -5.6926e-05 12 8 8 10 0 0 94.61 28.25 0.50 0.02898 0.02817 48 5 1 5 0 1143.310 36.00 19.99 28.25 30.91 0.0 967.80 900000 900000 167043 900000 -165530 900000 -173012 73609 -218327 -184059 900000 -153306 900000 900000 900000 -117972 900000 900000 900000 900000 900000 900000 900000 900000 900000 -89061 1931 121225 -15177 900000 900000 135486 -75114 202138 10194 900000 -42204 17486 10752 265056 104999 25767 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-1285 -602 860 1896 944 -7480 -719 29 -1789 -677 2279 492 -61 -2114 -2870 2117 -3242 3726 -524 -38 -3658 -1263 1252 -973 4040 -1408 -1351 -560 1414 -63 -369 781 -225 -824 -352 295 -1154 -2949 9034 -1333 564 2583 -860 1733 1071 293 -1616 2799 449 -2631 -1725 -1779 1039 3770 3360 -1402 -4124 -872 SS 20250608T122107.3Z 9290.514668 155 1 54.69 2 80.54 68.94 127.67 265.83 0.00 1 0.00 1 0 17 4.416e-01 1.131e-02 1.163e-01 2.294e-03 6.569212e-01 1.353035e-03 6.998411e-03 -6.000000e+00 2.869082e-01 230.96 -2.00 3.25 -2.00 320.94 0.00e+00 3.298948e-03 6.633577e-04 2.574511e-03 -6.000000e+00 1.438479e-02 290.85 -2.00 20.00 -2.00 320.25 0.00e+00 5.789 0.002 302.00 328.00 3 1.7840e+00 4.6727e-03 6.5739e-02 -6.0000e+00 7.1852e-01 9.0935e-02 6.2701e-03 3.5326e-02 -6.0000e+00 7.7910e-01 -1.3077e-01 5.6953e-03 1.8623e-02 -6.0000e+00 4.6365e-01 4.4913e-02 2.7032e-03 5.7870e-03 -6.0000e+00 1.9012e-01 1.6578e-04 -2.3399e-04 7.6538e-05 1.0853e-04 -6.0000e+00 1.6119e-02 2.8878e-02 -7.9132e-05 12 8 8 10 0 0 89.57 28.24 0.45 0.02888 0.02712 114 11 1 5 0 479.640 36.25 19.99 28.24 31.47 0.0 971.09 -113582 -60985 -71420 900000 -242346 -192591 -112234 -109700 -68810 -169974 900000 -96139 -16666 900000 900000 -72579 -23236 900000 900000 900000 900000 -20677 900000 39598 3138 -40212 -42717 18845 -26794 -5540 2945 -948 -24292 31067 -11733 212562 -29660 -3663 -1228 7392 5082 6132 18220 -12598 -2022 -3824 -8058 23893 6252 7947 7929 15704 3272 14329 -2849 385 1322 -152 753 2528 -3195 201 11665 -1270 -155 -522 6939 3125 -9 3444 1602 2783 -1636 -364 1108 1148 1435 -5005 -1178 -1360 -1965 -1013 -2988 -1794 1724 -780 -261 1061 1398 620 -1570 -631 -853 -1162 164 1410 403 85 -240 -993 -358 -1215 99 -403 -345 -2074 -1077 152 -310 1028 -51 257 132 528 74 98 383 10 197 90 -145 -292 -124 1535 81 329 280 406 1262 -288 -74 -396 27 -278 -317 -110 -296 320 521 62 -77 -479 -264 -623 -223 -304 900000 -5657 -2815 -797 -846 -391 -2933 900000 -1073 -105 900000 900000 -1444 -353 900000 900000 900000 900000 -416 900000 495 60 -1239 -1374 332 -784 -146 83 -32 -1161 902 -537 1092 -1934 -218 -85 543 427 550 1526 -1485 -220 -436 -991 2235 743 1010 1115 2269 587 2489 -623 85 295 -34 169 564 -797 53 3055 -375 -47 -162 2035 1006 -3 1352 693 1234 -751 -157 436 418 502 -1934 -488 -654 -1098 -634 -1919 -1226 1217 -599 -208 855 1118 484 -1187 -450 -601 -858 132 1288 393 93 -281 -1178 -402 -1281 97 -399 -357 -2314 -1269 191 -399 1441 -74 388 201 782 114 146 575 15 301 141 -228 -450 -184 2320 120 471 398 603 1903 -490 -129 -745 53 -553 -671 -244 -678 739 1195 139 -164 -978 -561 SS 20250608T122951.6Z 9290.520736 160 1 54.81 2 78.77 69.92 129.49 266.78 0.00 1 0.00 1 0 17 2.289e-01 7.004e-03 3.606e-02 1.274e-03 5.843473e-01 7.172020e-04 6.184788e-03 -6.000000e+00 1.470285e-01 230.96 -2.00 3.25 -2.00 320.12 0.00e+00 6.308765e-04 2.664099e-04 1.015755e-03 -6.000000e+00 6.812037e-03 290.86 -2.00 20.00 -2.00 319.35 0.00e+00 4.956 0.001 302.00 328.00 3 1.6175e+00 2.1937e-03 5.6248e-02 -6.0000e+00 3.6638e-01 3.2440e-02 2.7224e-03 2.9185e-02 -6.0000e+00 3.9505e-01 -4.6459e-02 2.2556e-03 1.4295e-02 -6.0000e+00 2.3602e-01 9.4682e-03 1.1265e-03 3.9675e-03 -6.0000e+00 9.7589e-02 4.5817e-04 -2.6386e-04 4.1836e-05 6.2072e-05 -6.0000e+00 8.2780e-03 2.9087e-02 -1.0169e-04 11 8 0 10 0 0 99.91 28.23 0.35 0.02909 0.02710 192 19 1 5 0 285.410 36.00 20.00 28.23 31.85 0.0 974.31 -75142 -32802 -75226 -41792 -77297 -97809 -105856 -79430 -70146 -80400 -28245 -71630 -46823 -1080 -331 -37971 -15675 6457 15037 1059 11709 -12841 18354 -12101 -4035 -21091 -19032 -3386 -15747 -4941 -5817 -7721 -10361 -3490 -10519 12932 -5564 -2461 -4066 3164 -1084 102 3242 -4797 -178 -2481 -911 3811 -854 1324 3747 4491 2444 5335 333 874 1156 949 153 422 -238 1770 3870 831 -252 120 1986 1084 94 1298 1170 1043 -53 499 455 -415 331 -2176 -877 -679 -1817 -1220 -2130 -1204 -279 -107 28 511 845 364 -403 12 -442 83 379 750 191 305 -104 -822 -510 -902 -187 -17 -370 -1172 -827 -445 -123 635 132 117 -37 230 34 36 488 407 223 49 -244 -49 106 862 250 324 178 533 694 154 -218 -290 -235 -208 -101 -100 -146 346 472 -181 -132 -312 -354 -662 -232 -851 -338 -884 -1422 -1828 -1184 -1063 -1488 -347 -1593 -989 -18 -6 -1250 -464 168 385 33 340 -498 554 -535 -176 -1140 -1021 -156 -847 -260 -351 -541 -823 -272 -902 927 -541 -275 -549 461 -184 18 593 -890 -32 -468 -173 786 -176 288 874 1147 696 1591 111 301 406 335 54 151 -90 713 1540 368 -117 55 908 524 50 759 685 634 -32 288 265 -225 170 -1176 -515 -420 -1304 -908 -1751 -1054 -258 -99 27 498 817 341 -387 11 -393 76 352 788 214 381 -131 -1037 -612 -1077 -210 -20 -440 -1486 -1046 -602 -171 955 203 189 -60 359 50 55 748 613 353 80 -401 -79 166 1357 380 477 259 803 1076 265 -386 -524 -447 -400 -206 -204 -308 737 1002 -375 -274 -620 -691 SS 20250608T123516.2Z 9290.524493 163 1 54.66 2 77.67 70.52 130.62 267.37 0.00 1 0.00 1 0 25 1.658e-01 6.527e-03 1.471e-02 8.308e-04 5.446760e-01 4.626714e-04 5.774888e-03 -6.000000e+00 1.064944e-01 230.96 -2.00 3.25 -2.00 319.63 0.00e+00 6.024844e-04 1.452171e-04 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