File name: Pandora257s1_AustinTX_20250923_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250924T062939.4Z 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_20250923_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: 20250923 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 20250923T135032.5Z 9397.576766 79 1 1.89 2 71.44 101.68 92.15 101.52 0.00 1 0.00 1 0 17 2.593e-02 6.451e-03 1.218e-02 3.113e-03 3.616897e-01 1.702498e-03 3.952691e-03 -6.000000e+00 1.646668e-02 228.05 -2.00 3.25 -2.00 317.67 0.00e+00 7.167602e-04 2.927001e-04 1.663307e-04 -6.000000e+00 7.743891e-04 291.75 -2.00 20.00 -2.00 316.78 0.00e+00 3.102 0.000 302.00 328.00 3 2.1055e+00 4.5359e-03 3.4738e-02 -6.0000e+00 4.0728e-02 1.7227e-02 5.1254e-03 1.7285e-02 -6.0000e+00 4.4008e-02 -1.0919e-02 3.0718e-03 8.3766e-03 -6.0000e+00 2.6373e-02 1.3239e-03 1.4981e-03 2.3606e-03 -6.0000e+00 1.0973e-02 2.0540e-03 -1.5401e-04 1.0814e-04 3.4504e-05 -6.0000e+00 9.3657e-04 3.2582e-02 -1.0164e-04 12 9 1 12 1 1 98.89 28.20 0.37 0.03258 0.03142 8 25 1 5 0 208.950 36.00 20.00 28.20 32.67 0.0 975.80 -10416 -13203 -5256 -8661 -6792 -12367 -4650 -7236 -7044 -5574 -5827 -3387 -4903 1037 7 132 -1010 1122 -684 38 4016 1508 2853 997 -217 709 419 -2035 -148 -856 1542 758 -597 -5 -3727 -374 -1491 19 -589 523 -1025 464 -574 330 -541 699 -71 887 -91 63 812 2103 411 1414 1209 170 308 302 1461 620 908 1302 1039 720 367 -278 686 -102 809 1104 133 149 -23 -285 -509 -443 42 -1560 -786 -1124 -1431 -802 -1789 -1299 -1017 -756 -33 43 502 -104 79 596 196 440 488 721 206 361 -181 -683 -441 -468 -466 -780 -226 -1309 -726 -498 32 586 254 -110 152 222 -279 170 345 502 567 38 -345 73 457 230 685 955 405 1129 1044 265 218 -182 -189 -156 -10 136 -339 201 0 -243 -270 -691 -542 -828 -1158 -431 -712 -530 -1029 -382 -670 -706 -584 -651 -407 -622 144 1 23 -193 223 -145 8 862 312 605 227 -52 173 102 -496 -35 -211 399 215 -182 -2 -1209 -122 -504 7 -249 232 -504 238 -308 178 -278 379 -38 479 -50 34 460 1263 252 905 806 111 204 200 1008 412 628 962 783 570 292 -216 514 -78 660 934 116 135 -21 -247 -433 -364 32 -1208 -642 -974 -1326 -778 -1808 -1394 -1112 -840 -38 50 587 -117 87 638 200 449 529 824 253 463 -236 -887 -566 -565 -564 -962 -281 -1674 -974 -680 44 869 383 -170 230 328 -391 236 475 715 821 56 -517 109 680 329 968 1291 557 1567 1482 392 331 -281 -303 -253 -18 235 -589 353 0 -420 -464 -1190 -919 SS 20250923T135402.1Z 9397.579191 82 1 1.07 2 70.71 102.17 91.44 101.96 0.00 1 0.00 1 0 17 1.589e-02 6.007e-03 6.324e-03 1.930e-03 3.502706e-01 1.057672e-03 3.819324e-03 -6.000000e+00 1.009454e-02 228.05 -2.00 3.25 -2.00 317.33 0.00e+00 3.916758e-04 1.647653e-04 1.594949e-04 -6.000000e+00 4.747077e-04 291.75 -2.00 20.00 -2.00 316.42 0.00e+00 2.991 0.000 302.00 328.00 3 8.1949e-01 2.7969e-03 3.3491e-02 -6.0000e+00 2.4967e-02 8.5004e-03 3.1518e-03 1.6651e-02 -6.0000e+00 2.6978e-02 -1.5177e-02 1.8518e-03 8.0810e-03 -6.0000e+00 1.6167e-02 3.9272e-03 8.8305e-04 2.2362e-03 -6.0000e+00 6.7268e-03 8.4421e-03 -5.7062e-05 6.7398e-05 3.3422e-05 -6.0000e+00 5.7413e-04 3.2355e-02 -1.0099e-04 12 1 1 12 1 1 95.91 28.21 0.32 0.03236 0.03193 20 104 1 5 0 50.910 36.00 20.00 28.21 32.85 0.0 977.17 -3582 -2047 -4899 -3354 -9510 -5278 -3165 -3746 -5088 -3032 -3742 -2697 -1983 -1058 -542 84 200 -142 946 1941 1938 1722 1915 801 -462 223 49 -1455 -2432 -46 1342 686 1033 -1180 -3395 -1730 -992 -822 -507 133 -324 -555 -112 -192 -151 220 313 -135 -360 211 925 1350 952 998 847 430 849 774 902 1007 1111 1453 1362 1115 8 -160 312 314 476 931 462 -255 -105 183 271 -552 -599 -458 -399 -737 -1260 -1591 -2012 -1940 -1065 -720 -303 224 121 66 63 241 -101 632 668 604 253 383 -222 -509 -537 -802 -632 196 -34 -754 -611 -560 -200 314 220 135 -14 27 139 352 520 402 493 75 1 84 441 453 184 604 207 750 988 103 190 -117 -226 257 -118 16 -291 180 123 -551 -82 -470 -603 -337 -202 -503 -328 -955 -512 -321 -419 -625 -386 -510 -399 -332 -185 -107 18 46 -32 222 467 478 435 502 224 -137 67 15 -430 -717 -13 419 217 346 -412 -1219 -636 -375 -337 -228 67 -170 -309 -64 -106 -83 122 181 -78 -201 122 561 829 626 658 581 305 606 553 641 723 794 1106 1064 914 7 -129 243 249 385 821 423 -234 -95 166 238 -449 -477 -361 -334 -659 -1169 -1570 -2075 -2059 -1195 -826 -350 264 142 78 70 254 -105 653 707 682 308 477 -291 -663 -668 -970 -760 238 -43 -967 -802 -755 -278 449 331 202 -21 40 197 489 721 561 704 110 1 124 647 640 257 827 277 1018 1374 151 286 -179 -360 414 -197 26 -497 313 213 -941 -138 -788 -1000 SS 20250923T135753.6Z 9397.581870 85 1 54.73 2 69.89 102.72 90.65 102.44 0.00 1 0.00 1 0 17 1.550e-02 5.626e-03 9.148e-04 2.668e-04 3.382111e-01 1.458850e-04 3.687271e-03 -6.000000e+00 9.847560e-03 228.05 -2.00 3.25 -2.00 317.47 0.00e+00 4.739895e-04 2.366809e-05 1.622114e-04 -6.000000e+00 4.629808e-04 291.75 -2.00 20.00 -2.00 316.57 0.00e+00 2.878 0.000 302.00 328.00 3 9.2064e-01 3.8688e-04 3.2263e-02 -6.0000e+00 2.4357e-02 8.7985e-03 4.3637e-04 1.6098e-02 -6.0000e+00 2.6316e-02 -9.1665e-03 2.5828e-04 7.8111e-03 -6.0000e+00 1.5771e-02 -5.1465e-04 1.2411e-04 2.1747e-03 -6.0000e+00 6.5633e-03 8.6151e-03 1.7022e-04 9.3702e-06 3.2328e-05 -6.0000e+00 5.5999e-04 3.2045e-02 -5.4286e-05 10 0 0 10 0 0 100.00 28.21 0.30 0.03205 0.03332 2211 213 1 5 0 24.750 36.00 20.00 28.21 33.06 0.0 978.91 -3935 -5134 -4411 -6163 -7001 -5202 -4225 -3303 -3265 -4720 -4761 -1770 -1514 -278 45 -497 -490 1067 722 1168 1165 425 1286 1111 324 -67 -579 -863 -335 851 864 500 469 -1237 -2651 -1143 -845 -398 -64 -247 -749 -515 -298 -377 -125 -26 -327 -43 -153 292 1000 958 961 1189 682 848 851 544 525 897 1282 1556 1463 1236 78 -386 -26 126 802 842 200 -12 -75 94 -174 -378 -344 -636 -325 -571 -1316 -1464 -1913 -1670 -961 -640 -257 -134 137 207 128 327 198 400 686 450 243 408 -18 -562 -505 -591 -580 72 -231 -1051 -718 -376 -182 330 342 156 51 56 7 260 440 350 364 272 -122 -37 393 312 440 619 306 775 931 245 94 -127 -258 -72 100 -30 -195 198 107 -365 -307 -369 -588 -360 -507 -436 -600 -663 -486 -417 -354 -378 -587 -627 -225 -218 -46 8 -101 -107 242 158 263 268 101 314 286 88 -19 -160 -233 -89 228 248 156 155 -391 -853 -376 -308 -155 -29 -119 -395 -287 -160 -206 -69 -14 -178 -23 -84 165 593 607 610 793 474 605 580 372 358 616 915 1184 1130 999 64 -306 -20 98 661 721 176 -11 -69 86 -149 -314 -267 -518 -265 -491 -1213 -1418 -2007 -1783 -1042 -734 -296 -157 159 242 140 347 209 420 728 505 290 510 -24 -736 -630 -723 -685 86 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