File name: Pandora257s1_AustinTX_20250723_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250724T064734.8Z 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_20250723_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: 20250723 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 20250723T124633.4Z 9335.532331 97 1 7.56 2 78.26 73.61 61.98 73.47 0.00 1 0.00 1 0 17 4.151e-01 1.326e-02 2.893e-01 7.204e-03 5.714343e-01 4.161963e-03 6.136641e-03 -6.000000e+00 2.671327e-01 230.00 -2.00 3.25 -2.00 320.46 0.00e+00 1.736855e-03 1.751361e-03 1.754108e-03 -6.000000e+00 1.294837e-02 293.22 -2.00 20.00 -2.00 319.68 0.00e+00 4.755 0.001 302.00 328.00 3 2.9604e+00 1.3437e-02 5.4465e-02 -6.0000e+00 6.6433e-01 2.2501e-02 1.7250e-02 2.9549e-02 -6.0000e+00 7.1789e-01 -1.2966e-02 1.4695e-02 1.4788e-02 -6.0000e+00 4.3010e-01 -2.4631e-03 7.2118e-03 4.1683e-03 -6.0000e+00 1.7941e-01 1.4395e-04 1.4570e-04 2.4805e-04 7.4577e-05 -6.0000e+00 1.5122e-02 2.9107e-02 -2.0916e-05 12 9 9 12 1 1 99.99 28.23 0.35 0.02911 0.03020 11 8 1 5 0 629.830 36.25 20.00 28.23 31.26 0.0 967.99 900000 -108976 900000 -29114 -147826 -13391 -40305 -165070 -44576 -73001 24675 -60554 28667 900000 900000 598 39743 135490 900000 148117 290733 -7274 900000 59512 -20332 -57448 -35418 28963 -17720 -12310 -18161 1895 -35585 24042 64 87184 -8163 -1832 9170 1409 14659 13110 16750 -11110 -6805 -7199 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-12 -517 -2185 -1443 -442 -672 1592 434 -230 246 1526 246 -811 -12 267 -103 -245 -190 -913 1165 2801 137 -82 -412 2054 2770 -319 -1211 -1991 -986 -575 -470 873 -226 27 1828 -309 590 -1167 -745 SS 20250723T125056.9Z 9335.535380 100 1 6.72 2 77.35 74.11 61.11 73.86 0.00 1 0.00 1 0 17 3.647e-01 1.688e-02 2.429e-01 9.803e-03 5.490539e-01 5.610099e-03 5.870254e-03 -6.000000e+00 2.352969e-01 230.00 -2.00 3.25 -2.00 320.32 0.00e+00 -2.825914e-03 2.220632e-03 2.082083e-03 -6.000000e+00 1.172358e-02 293.22 -2.00 20.00 -2.00 319.51 0.00e+00 4.438 0.001 302.00 328.00 3 3.5856e+00 1.7673e-02 5.2122e-02 -6.0000e+00 5.8606e-01 7.4998e-02 2.2389e-02 3.1711e-02 -6.0000e+00 6.3352e-01 -7.4326e-02 1.8153e-02 1.3164e-02 -6.0000e+00 3.7874e-01 2.2729e-02 8.9262e-03 5.2227e-03 -6.0000e+00 1.5730e-01 1.0548e-04 1.3084e-03 3.4023e-04 5.2997e-05 -6.0000e+00 1.3244e-02 2.8268e-02 2.2299e-04 12 9 9 12 1 1 99.97 28.23 0.74 0.02827 0.03810 7 6 1 5 0 839.890 36.00 20.00 28.23 31.37 0.0 969.13 -56866 -64236 900000 194317 -46743 -153077 -133866 -103255 -83620 -104030 900000 -83582 -81148 27010 900000 811 -6755 900000 110990 61148 900000 2496 113605 -2339 27298 -39338 -856 -5806 -41456 5140 -12026 17760 -12174 9633 -11771 77802 -21114 12113 -204 12238 18295 7719 2193 -13329 -7031 -6620 -4445 17015 1480 9516 9970 14289 8783 11888 2249 5139 -3834 4440 607 4765 -5295 2321 8982 -1918 -5539 -2504 6849 1658 -4070 3540 849 4017 -1910 597 857 983 4073 -5267 -2240 -1665 -2540 141 -4146 -1026 -254 147 -576 -544 822 3027 -4714 -725 1429 971 -11 1395 1119 -1313 -81 -1760 -326 -523 -545 1102 1129 -3407 -1025 -940 469 1274 929 1448 1040 -33 -1241 -632 795 -161 160 -97 107 -648 487 2240 103 317 635 -521 1390 -405 -700 -969 702 433 -723 -100 -425 690 253 1227 -1031 -428 -512 -543 -725 900000 1856 -446 -4386 -3487 -2241 -1670 -2800 900000 -2322 -2607 387 900000 20 -200 900000 1166 1110 900000 88 1411 -101 939 -2743 -41 -288 -2970 245 -758 933 -942 626 -967 2750 -2259 1099 -25 1531 2394 1202 375 -2712 -1357 -1284 -853 2698 285 1809 2057 3098 2190 3089 681 1576 -1315 1404 198 1497 -1917 840 3320 -769 -2366 -1033 2833 752 -1937 1728 460 2187 -1095 318 422 446 1875 -2456 -1105 -928 -1627 98 -3298 -849 -222 125 -515 -497 735 2786 -4425 -618 1158 811 -10 1304 1184 -1574 -101 -2237 -390 -584 -580 1160 1245 -4160 -1296 -1272 625 1833 1440 2317 1664 -52 -1873 -917 1138 -240 249 -157 174 -1038 748 3256 147 435 928 -736 2083 -676 -1267 -1735 1300 849 -1515 -219 -895 1458 534 2669 -2195 -869 -1022 SS 20250723T125517.6Z 9335.538398 103 1 25.04 2 76.44 74.60 60.24 74.25 0.00 1 0.00 1 0 17 3.653e-01 1.304e-02 2.031e-01 4.738e-03 5.049023e-01 2.694886e-03 5.371113e-03 -6.000000e+00 2.341965e-01 230.00 -2.00 3.25 -2.00 320.17 0.00e+00 2.608813e-03 1.013044e-03 2.417607e-04 -6.000000e+00 1.183279e-02 293.22 -2.00 20.00 -2.00 319.34 0.00e+00 4.162 0.001 302.00 328.00 3 3.8448e+00 8.3275e-03 4.7455e-02 -6.0000e+00 5.8136e-01 2.6206e-02 1.0401e-02 2.4918e-02 -6.0000e+00 6.2731e-01 -4.8737e-03 8.5036e-03 1.2565e-02 -6.0000e+00 3.7563e-01 -5.7552e-03 4.2575e-03 5.2243e-03 -6.0000e+00 1.5723e-01 1.0964e-04 2.5237e-04 1.6581e-04 6.5599e-05 -6.0000e+00 1.3321e-02 2.9505e-02 -4.6359e-05 12 9 9 12 1 1 100.00 28.23 0.25 0.02950 0.03140 31 7 1 5 0 782.450 36.00 20.00 28.23 31.58 0.0 971.08 -29537 900000 76027 900000 -97139 34975 -64422 -16481 -60580 -49938 900000 -523 -57740 900000 218384 -17815 45699 71809 132214 25620 92293 8800 222900 20025 49300 -27112 -15901 -2618 6188 -1495 6740 -11860 -3025 8403 -11162 82635 -10439 -9809 -13457 1425 21919 3360 10749 -11447 -4060 -9941 -10751 8663 -897 9577 6394 10974 3118 12286 -2583 -92 1788 212 -909 -2412 -3490 211 10107 -1147 -4521 -2657 5832 2079 -2198 1511 649 1223 -2170 541 1810 2741 1362 -5866 498 -1463 -2039 292 -2437 -732 350 -63 -72 90 376 1591 -2303 -16 718 67 256 1292 -421 1263 -978 -668 533 -1053 858 61 957 -1541 -356 -231 -180 1649 361 -325 153 976 191 -1007 101 -303 -3 -925 -234 -1311 734 1569 11 -311 238 538 713 -42 -476 -552 506 326 -685 -127 -387 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