File name: Pandora25s1_HoustonTX_20220812_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20250922T152916.3Z 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_20220812_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: 20220812 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 20220812T124512.7Z 8259.531397 227 1 22.08 2 78.70 79.20 96.71 253.19 0.00 1 0.00 1 0 25 5.956e-01 1.714e-02 2.045e-01 6.002e-03 6.203418e-01 3.219032e-03 6.549235e-03 -6.000000e+00 3.436527e-01 229.54 -2.00 3.24 -2.00 320.80 0.00e+00 -4.126341e-04 1.417821e-03 6.527687e-04 -6.000000e+00 1.705576e-02 294.59 -2.00 20.00 -2.00 320.03 0.00e+00 4.926 0.001 302.00 328.00 3 3.1648e+00 1.0729e-02 5.7431e-02 -6.0000e+00 8.5625e-01 5.7786e-02 1.4280e-02 3.0387e-02 -6.0000e+00 9.2808e-01 -1.3480e-01 1.2644e-02 1.5006e-02 -6.0000e+00 5.5392e-01 5.9495e-02 6.1491e-03 4.1804e-03 -6.0000e+00 2.3900e-01 8.8468e-05 -5.5655e-04 1.6950e-04 4.8883e-05 -6.0000e+00 1.6549e-02 -2.9687e-03 8.5751e-05 12 9 9 12 1 1 79.23 24.69 0.47 -0.00297 -0.00715 12 6 1 5 0 1684.470 27.15 20.01 24.69 34.22 26.7 1002.07 -147555 900000 -38976 900000 -159224 -119948 -83316 32953 900000 -172432 -148136 900000 -133183 18801 -94449 -65402 46328 8894 78475 33607 512142 -24385 -67206 -29729 4334 -25553 -26944 -11545 -22767 -69947 123006 38845 46342 3483 -12478 36178 13087 75169 16044 7102 -5712 21795 11666 16579 5521 27638 1364 -2340 15138 55 9084 -1229 12313 5941 13700 9265 10646 -11044 4242 -2282 3952 -4478 2148 3527 -464 4576 -7825 1860 2214 6449 3945 1723 1193 -883 4769 3744 -3004 -1965 -174 1497 -1396 -2975 -3365 3564 -1149 -4076 1469 -504 156 298 940 620 542 -1168 -1588 669 -2487 940 -563 -571 -410 -1865 -2281 -2002 1904 -553 -438 -2169 1133 -1035 -72 128 1377 180 34 793 226 -538 -276 49 -547 861 251 1363 203 1748 -866 1510 293 690 668 -13 118 698 -454 -335 173 -3 -265 -494 549 -1679 217 -2296 900000 -252 900000 -2876 -1525 -835 193 900000 -5656 -4079 900000 -4547 189 -3383 -2059 562 169 819 567 2996 -734 -3243 -1114 128 -1051 -1126 -402 -872 -4541 1524 1248 1573 183 -731 1372 694 2679 1212 685 -688 2160 1323 1821 680 2821 181 -332 1904 9 1441 -238 2291 1266 2869 2110 2456 -3094 1007 -570 971 -1307 663 1183 -166 1520 -2886 654 862 2739 1857 855 586 -419 1985 1432 -1159 -769 -75 736 -805 -1942 -2369 2494 -889 -3411 1223 -436 134 246 730 457 389 -879 -1323 616 -2635 1073 -688 -693 -471 -2005 -2325 -2072 2027 -628 -520 -2751 1502 -1516 -112 208 2201 281 51 1153 332 -825 -441 80 -899 1368 390 2051 299 2476 -1224 2168 461 1180 1215 -25 234 1429 -981 -749 391 -8 -608 -1107 1174 -3509 440 SS 20220812T130008.0Z 8259.541760 236 1 49.45 2 75.51 80.93 99.68 254.91 0.00 1 0.00 1 0 25 9.034e-02 5.073e-03 2.662e-02 1.244e-03 5.030521e-01 6.411202e-04 5.393259e-03 -6.000000e+00 5.197146e-02 229.54 -2.00 3.24 -2.00 319.89 0.00e+00 1.383654e-03 2.099776e-04 1.905460e-04 -6.000000e+00 2.399887e-03 294.59 -2.00 20.00 -2.00 319.01 0.00e+00 3.912 0.001 302.00 328.00 3 2.1991e+00 1.9120e-03 4.5908e-02 -6.0000e+00 1.2912e-01 -2.8078e-02 2.3435e-03 2.4491e-02 -6.0000e+00 1.3980e-01 5.9917e-03 1.8989e-03 1.1944e-02 -6.0000e+00 8.3764e-02 -9.7600e-03 9.8296e-04 3.8184e-03 -6.0000e+00 3.5834e-02 6.9114e-04 -4.6631e-04 3.5341e-05 3.9535e-05 -6.0000e+00 2.4619e-03 -1.9187e-03 6.1799e-05 10 0 0 10 0 0 99.98 24.71 0.26 -0.00192 -0.00542 207 44 1 5 0 238.840 27.15 19.99 24.71 34.67 26.4 1004.16 -33995 3741 -44512 1050 -51357 -23915 -7712 -14145 -1554 -27652 -39963 4746 -22625 -4751 -16460 28990 -548 -5536 523 -1051 504 -5395 -8461 -3894 -4637 -4463 -4594 -4729 -1768 -8018 1597 4645 -292 2233 -5631 2125 -4321 3134 -1502 -900 -1625 473 96 210 1366 -344 -587 -1675 1913 -1021 1043 -453 431 1032 729 1021 656 -690 182 373 279 862 946 1715 370 903 -467 -272 714 1006 680 823 460 175 833 76 -573 -958 -102 -734 -760 -1033 -1533 -932 -914 -830 -109 262 431 1048 719 912 330 507 -90 306 -155 445 93 -116 -271 -876 -686 -714 -474 -1174 -484 -783 -40 1144 336 258 347 125 11 214 35 -163 -355 -373 -560 -40 72 173 212 500 55 736 382 391 380 -47 -3 77 75 -115 -100 22 26 -161 -19 -253 -192 -484 41 -764 12 -893 -321 -98 -222 -24 -549 -936 88 -627 -136 -645 830 -23 -249 24 -51 25 -282 -486 -233 -302 -305 -314 -311 -111 -578 121 395 -29 226 -587 209 -480 390 -240 -168 -338 102 22 48 316 -77 -142 -391 444 -259 286 -139 143 365 272 394 260 -275 70 144 113 360 443 872 193 448 -229 -137 395 600 443 555 307 111 480 42 -298 -504 -59 -473 -563 -818 -1317 -842 -842 -816 -112 275 449 1041 665 823 285 446 -84 323 -179 548 123 -151 -330 -1020 -747 -801 -573 -1442 -622 -1074 -56 1752 538 428 566 194 17 310 51 -251 -557 -614 -925 -63 111 269 314 711 79 1041 598 650 654 -86 -5 146 147 -239 -213 46 55 -338 -38 -498 -369 SS 20220812T131103.3Z 8259.549344 239 1 49.56 2 73.17 82.19 101.86 256.15 0.00 1 0.00 1 0 25 1.279e-01 7.594e-03 2.675e-02 1.876e-03 4.379406e-01 9.583569e-04 4.736502e-03 -6.000000e+00 7.361120e-02 229.54 -2.00 3.24 -2.00 319.41 0.00e+00 8.379372e-04 2.661389e-04 1.464842e-04 -6.000000e+00 3.399115e-03 294.59 -2.00 20.00 -2.00 318.49 0.00e+00 3.399 0.000 302.00 328.00 3 3.5330e+00 2.7477e-03 3.9911e-02 -6.0000e+00 1.8289e-01 -1.0529e-02 3.2655e-03 2.1253e-02 -6.0000e+00 1.9801e-01 7.5058e-05 2.4204e-03 1.0296e-02 -6.0000e+00 1.1864e-01 -3.9902e-03 1.2693e-03 3.0180e-03 -6.0000e+00 5.0755e-02 3.1655e-04 -3.0901e-04 5.3916e-05 3.2289e-05 -6.0000e+00 3.4869e-03 -2.0935e-03 5.8668e-05 11 9 0 11 8 0 99.99 24.69 0.41 -0.00209 -0.00442 80 17 1 5 0 619.420 27.15 20.00 24.69 34.78 26.3 1003.80 -93951 29731 -20001 22363 -44385 -1744 53452 -17985 29308 -36972 -19192 10505 -15954 1792 -11583 52952 4459 -4720 2605 3758 976 -2229 -12576 335 -2451 -2189 -5348 1224 -1961 -7686 6836 5642 2891 3961 -6916 4255 -2852 4448 862 -1106 -2044 703 2255 -261 1486 381 -1184 -1485 1845 -459 1910 25 1061 730 769 1238 1085 -1212 133 -67 169 931 1141 1816 274 1030 -490 -527 939 566 1338 225 266 -95 1648 9 -1606 -1421 31 -390 -462 -1229 -1878 -105 -1315 -1121 -309 106 276 752 785 1296 731 -38 -113 587 46 586 153 -482 -523 -1373 -619 -832 -380 -958 -368 -771 114 125 90 384 411 242 5 269 -183 5 -196 -280 -740 93 185 461 455 776 432 904 672 264 614 -132 -66 437 48 -183 -53 94 -132 -185 -195 -519 -342 -4374 491 -537 382 -1297 -35 706 -522 612 -1491 -674 311 -716 82 -700 1982 281 -346 189 282 76 -181 -1183 30 -241 -224 -562 116 -186 -810 708 664 386 534 -981 554 -443 765 183 -275 -558 197 644 -77 437 114 -361 -456 559 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