File name: Pandora25s1_HoustonTX_20221015_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20250922T160829.9Z 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_20221015_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: 20221015 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 20221015T131105.8Z 8323.549373 249 1 49.48 2 80.68 105.60 34.04 275.17 0.00 1 0.00 1 0 25 4.969e-01 2.912e-02 1.222e-01 2.377e-03 6.345947e-01 1.274226e-03 8.631828e-03 -6.000000e+00 2.864061e-01 226.97 -2.00 3.24 -2.00 321.12 0.00e+00 1.905768e-02 6.313484e-04 7.061320e-03 -6.000000e+00 1.361917e-02 291.33 -2.00 20.00 -2.00 320.45 0.00e+00 5.864 0.002 302.00 328.00 3 1.2932e+00 4.4790e-03 6.9792e-02 -6.0000e+00 7.1027e-01 3.2653e-01 5.7287e-03 3.8278e-02 -6.0000e+00 7.7195e-01 -5.5793e-01 4.7887e-03 2.4415e-02 -6.0000e+00 4.5871e-01 2.4998e-01 2.3385e-03 1.2209e-02 -6.0000e+00 1.9721e-01 2.2148e-04 -9.8451e-04 6.6504e-05 2.6003e-04 -6.0000e+00 1.3964e-02 -6.9251e-03 1.1761e-04 12 8 8 10 0 0 8.47 24.91 0.43 -0.00693 -0.01432 129 27 1 5 0 383.500 27.35 19.99 24.91 29.82 27.0 976.43 -243697 900000 37679 900000 -15396 49280 900000 55695 900000 32071 -43910 65454 98278 78891 132355 104487 139600 190424 114563 151969 93105 88362 64991 99257 48840 65903 11360 74579 54813 9737 124102 93174 79632 61413 40236 66486 54289 83184 36916 29660 31478 33583 45731 32087 47283 32883 31086 26622 39372 25935 33538 26236 24099 23868 17275 16344 11847 2877 9003 5682 9105 9450 10489 11295 10251 10642 9524 6471 8074 4802 5060 2735 1235 -475 2936 -199 -4411 -1295 -1583 -147 -854 -1536 -3303 -841 -3590 -4238 -2718 -2385 -2863 -944 -1715 -2070 -2537 -4243 -3928 -2654 -2073 -1067 -583 -1067 4 -1800 -1703 -2836 -1484 -2013 -1570 -1548 -398 -457 -88 241 380 -260 -341 295 30 311 474 631 1125 1868 1993 1988 2111 1959 1649 1942 1361 1195 1274 867 782 609 -312 -462 -437 -330 -706 -590 -493 -1241 -1438 -23830 900000 305 900000 -172 266 900000 280 900000 204 -602 354 512 670 843 1049 1105 992 1349 1261 1366 1296 1179 1265 1018 1158 342 1181 1100 353 1773 2176 2429 2312 1613 2182 2180 2874 2190 2156 2440 2705 3455 2893 3791 3170 3157 2946 4006 3221 4261 3668 3712 3918 3113 3002 2276 592 1700 1119 1847 2153 2718 3259 3112 3132 2794 2015 2552 1791 2046 1166 522 -191 1036 -70 -1530 -451 -592 -65 -444 -914 -2040 -536 -2510 -3177 -2110 -1900 -2292 -714 -1221 -1383 -1643 -2908 -3038 -2373 -2027 -1189 -664 -1220 4 -1850 -1609 -2744 -1526 -2208 -1823 -1831 -514 -663 -134 385 607 -403 -501 439 42 468 759 1054 1858 2959 3045 2938 3162 2837 2326 2856 2151 2137 2374 1730 1562 1292 -681 -1063 -1028 -790 -1692 -1361 -1123 -2679 -3007 SS 20221015T132036.1Z 8323.555974 254 1 49.47 2 78.69 106.88 36.05 276.04 0.00 1 0.00 1 0 25 2.099e-01 5.722e-03 4.890e-02 1.138e-03 5.632404e-01 5.897566e-04 5.998882e-03 -6.000000e+00 1.196566e-01 226.97 -2.00 3.24 -2.00 320.39 0.00e+00 1.111496e-03 2.310178e-04 2.594311e-04 -6.000000e+00 5.495286e-03 291.33 -2.00 20.00 -2.00 319.64 0.00e+00 4.925 0.001 302.00 328.00 3 1.0501e+00 1.8412e-03 5.5831e-02 -6.0000e+00 2.9584e-01 -3.1537e-02 2.3555e-03 2.7345e-02 -6.0000e+00 3.2100e-01 5.4370e-03 2.1189e-03 1.3492e-02 -6.0000e+00 1.9235e-01 -9.2441e-03 1.0668e-03 4.3291e-03 -6.0000e+00 8.2537e-02 8.0121e-04 -3.1740e-04 3.2034e-05 4.7187e-05 -6.0000e+00 5.7119e-03 -6.8257e-03 1.2019e-04 10 0 0 10 0 0 3.57 24.90 0.36 -0.00683 -0.00921 279 59 1 5 0 177.290 27.35 20.00 24.90 30.61 27.4 981.61 -165712 -21697 -38232 -20978 -83390 -54297 22807 -44780 55742 -19904 -63324 -8171 -29127 -8322 -14104 88930 -3352 1170 -2219 -4489 -12018 -6959 -7204 -3261 -7723 -9334 -9074 -6655 -2251 -17232 6575 784 594 -3286 -4294 812 -976 5049 -2128 -57 -1325 538 1498 249 2467 1320 739 -1206 1113 41 2124 623 1060 1373 1447 1444 978 -1150 617 -787 963 446 720 1827 471 1035 359 -3 878 789 453 634 260 19 798 279 -1695 -983 -609 -684 -764 -962 -1430 -1006 -996 -940 -93 358 582 799 715 798 378 366 41 160 484 486 55 -165 -144 -787 -598 -687 -659 -1028 -723 -851 -50 995 165 392 415 183 -23 112 64 -44 -324 -312 -516 -107 44 288 375 423 219 698 433 262 235 -74 -73 0 -96 -78 -182 127 -43 -14 -41 -91 -220 -3760 -133 -293 -129 -891 -444 106 -434 247 -185 -958 -82 -455 -133 -296 858 -82 30 -64 -141 -417 -233 -259 -125 -336 -400 -392 -295 -95 -844 300 44 39 -231 -293 54 -75 440 -246 -8 -186 79 229 40 389 215 123 -211 199 8 449 149 276 386 430 448 291 -348 193 -249 291 150 274 760 204 431 148 -1 416 401 253 368 149 10 423 134 -779 -456 -316 -390 -505 -677 -1099 -817 -869 -824 -85 335 542 712 631 657 299 299 38 158 546 588 72 -213 -174 -868 -650 -764 -746 -1237 -916 -1093 -69 1441 263 653 684 289 -35 168 97 -67 -523 -526 -870 -174 69 437 574 623 312 1029 677 436 426 -136 -141 1 -200 -172 -393 278 -95 -30 -86 -181 -446 SS 20221015T132635.9Z 8323.560138 257 1 49.43 2 77.45 107.71 37.31 276.57 0.00 1 0.00 1 0 25 1.240e-01 5.319e-03 1.921e-02 8.326e-04 5.164248e-01 4.266449e-04 5.543282e-03 -6.000000e+00 7.069442e-02 226.97 -2.00 3.24 -2.00 319.96 0.00e+00 1.269275e-03 1.436504e-04 2.126187e-04 -6.000000e+00 3.246940e-03 291.33 -2.00 20.00 -2.00 319.16 0.00e+00 4.473 0.001 302.00 328.00 3 9.7232e-01 1.2739e-03 5.0820e-02 -6.0000e+00 1.7479e-01 -2.5071e-02 1.5650e-03 2.5000e-02 -6.0000e+00 1.8965e-01 9.5508e-04 1.3087e-03 1.2285e-02 -6.0000e+00 1.1364e-01 -6.6385e-03 6.7630e-04 3.9189e-03 -6.0000e+00 4.8761e-02 1.3859e-03 -2.7869e-04 2.3556e-05 4.1459e-05 -6.0000e+00 3.3749e-03 -6.7003e-03 1.0740e-04 10 0 0 10 0 0 51.91 24.89 0.29 -0.00670 -0.00879 372 79 1 5 0 132.850 27.35 20.00 24.89 31.12 27.1 983.67 -106087 -29732 -22101 -32292 -44047 -40264 -557 -23805 -10449 -11777 -39313 -5291 -22801 -1678 -12847 6931 -6768 6660 -4707 1924 -4145 -6598 -3706 -4719 -4035 -5793 -5220 -7104 -1029 -9966 3008 -1491 2780 -3048 -4003 -1844 -3592 1773 -2387 -923 -1370 558 -180 1035 173 1022 -778 87 -164 403 1064 852 1464 1061 1058 695 774 -285 994 -302 1184 414 1620 1722 1025 591 112 100 587 914 446 595 194 511 276 209 -1195 -590 -601 -655 -996 -997 -1468 -1243 -897 -819 82 36 632 710 905 540 345 412 105 408 106 620 -8 -177 -361 -690 -578 -652 -872 -1026 -758 -664 -134 773 283 229 387 171 138 194 225 -194 -283 -345 -539 -202 85 259 409 548 218 832 534 491 196 63 -64 88 -83 -117 -182 67 -82 -128 -69 -213 -175 -2506 -371 -268 -410 -582 -520 -5 -336 -146 -178 -818 -89 -569 -42 -441 226 -256 241 -204 83 -193 -319 -185 -261 -240 -369 -332 -443 -59 -679 209 -126 255 -307 -389 -179 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