File name: Pandora177s1_WestportCT_20240611_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T185806.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240611_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240611 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240611T102332.8Z 8928.433019 71 1 48.63 2 80.27 67.71 118.66 20.22 0.00 1 0.00 1 0 33 6.743e-01 1.678e-02 4.030e-01 8.053e-03 8.305929e-01 4.844995e-03 1.400877e-02 -6.000000e+00 4.112834e-01 232.76 -2.00 3.51 -2.00 322.10 0.00e+00 1.400345e-02 3.060742e-03 2.404503e-02 -6.000000e+00 1.878752e-02 286.29 -2.00 20.00 -2.00 321.63 0.00e+00 5.642 0.003 302.00 328.00 3 1.7988e+00 2.0221e-02 1.4027e-01 -6.0000e+00 1.0364e+00 3.3930e-01 3.0526e-02 1.5504e-01 -6.0000e+00 1.1180e+00 -5.1480e-01 3.1327e-02 6.4220e-02 -6.0000e+00 6.6010e-01 2.0126e-01 1.3924e-02 1.1304e-02 -6.0000e+00 2.7927e-01 1.2870e-04 1.8223e-03 2.4001e-04 5.3723e-04 -6.0000e+00 2.0166e-02 1.8855e-02 0.0000e+00 12 8 8 10 0 0 99.36 23.02 0.42 0.01886 0.03255 77 18 1 5 0 631.520 26.41 20.00 23.02 17.18 24.6 981.36 -92207 -240204 -243930 -166868 -263315 -51979 -248977 900000 -237934 900000 -215168 -65160 -198356 -238973 -16819 -102261 -94101 -71902 73345 -41595 -90168 -86243 -67966 -413 -34228 -25386 -65766 87656 166709 -49078 31327 -4552 22130 -680 -7480 -20170 77069 10436 27250 17819 21681 549 -12945 27185 15294 40763 -3034 8786 18820 21367 10387 15800 23584 11414 29774 15147 17819 3198 16587 2470 14429 6105 1716 11623 1962 14240 -5383 10443 13596 10433 7236 2077 9232 6144 3328 689 1073 -4587 3362 -471 2 248 -2337 3664 -747 2962 3492 2515 -816 433 -261 -4824 -7210 -5585 -827 -629 1354 945 -10 -546 -3390 -4458 -3253 -1163 -3209 -1358 -1837 537 1139 495 11 -952 -562 -2151 402 -1414 415 1604 1582 1686 1875 2532 2259 990 251 -792 -1388 612 -28 109 -1104 -1268 -532 -6 507 41 1206 478 308 -247 -1141 -844 -724 -2571 -2785 -1310 -3194 -408 -2665 900000 -2547 900000 -2149 -511 -2972 -7332 -132 -1240 -1209 -821 576 -386 -1351 -1231 -824 -3 -317 -217 -845 688 1308 -735 268 -68 284 -11 -128 -403 660 209 544 445 572 19 -545 795 524 1248 -139 421 886 1090 669 1079 1629 950 2150 1296 1483 301 1341 235 1325 700 237 1615 313 2012 -951 1721 2476 2195 1670 507 2000 1259 632 124 194 -976 789 -138 1 95 -996 1565 -353 1427 1741 1275 -418 208 -119 -2219 -3480 -2959 -492 -443 1088 857 -9 -512 -2970 -3552 -2451 -889 -2667 -1177 -1714 540 1297 643 16 -1436 -840 -3166 558 -1987 594 2393 2459 2620 2803 3581 3092 1333 329 -1020 -1848 893 -47 209 -2338 -2879 -1285 -15 1376 117 3409 1359 856 -651 -2812 -1970 SS 20240611T104142.9Z 8928.445635 85 1 48.78 2 77.07 70.45 117.45 24.72 0.00 1 0.00 1 0 25 5.294e-01 2.041e-02 3.950e-01 1.027e-02 6.779088e-01 5.953333e-03 1.182637e-02 -6.000000e+00 3.210951e-01 232.76 -2.00 3.51 -2.00 321.51 0.00e+00 5.790101e-03 3.165060e-03 1.745553e-02 -6.000000e+00 1.476500e-02 286.29 -2.00 20.00 -2.00 320.95 0.00e+00 4.350 0.001 302.00 328.00 3 3.3726e+00 2.1770e-02 1.0544e-01 -6.0000e+00 8.0703e-01 1.5636e-01 3.0467e-02 1.2224e-01 -6.0000e+00 8.6991e-01 -2.6571e-01 2.9589e-02 4.5075e-02 -6.0000e+00 5.1634e-01 1.0455e-01 1.3700e-02 5.8635e-03 -6.0000e+00 2.2060e-01 1.0819e-04 1.6299e-03 3.1635e-04 2.8523e-04 -6.0000e+00 1.5714e-02 2.0372e-02 0.0000e+00 12 8 8 10 0 0 99.98 23.02 0.37 0.02037 0.03262 77 18 1 5 0 633.440 26.41 19.99 23.02 17.60 24.6 984.15 900000 -194999 -115035 119370 -65992 -190626 -125564 -45094 -201564 900000 -180073 14857 -167203 -43777 -46551 55311 -24893 43940 59904 -88952 30930 -47463 139739 -1236 93820 246213 -49085 43651 -10443 124454 -45396 15993 -22185 6211 48267 28843 14463 -28632 11916 -18499 50990 5012 17547 2251 4548 12128 2316 16968 3023 12710 351 14768 3077 17329 19137 12605 10780 -927 19332 -6847 16143 7223 20992 3803 10370 2336 -5965 9160 -486 7567 -3332 -1428 5543 1611 -4650 -9655 -1447 -10420 -935 -5012 149 -3623 48 2313 3303 2108 790 4736 -1297 1283 -4910 -2816 -6264 -2403 -1534 -601 3109 36 365 -2259 -2686 -3672 -1453 -636 -2489 -1551 -2415 1736 2277 2618 1244 2136 234 -1084 -1568 -2107 -117 -688 2505 -74 3255 1908 2791 1434 -1167 -2715 -2131 817 -1463 -125 -1477 -978 -1029 -582 468 -55 1911 849 1094 -232 -697 -1600 900000 -3123 -1151 1195 -660 -2671 -1257 -451 -4169 900000 -3733 149 -4463 -469 -632 554 -356 440 600 -2925 310 -1052 1399 -19 939 2464 -1333 468 -202 1246 -1720 389 -872 186 932 701 465 -1719 571 -1375 2078 344 1104 169 341 867 189 1249 272 1136 40 1605 409 2131 2422 1757 1541 -146 2446 -1141 2297 1265 3617 846 2202 528 -1475 2102 -139 2240 -1172 -498 1869 523 -1457 -2921 -396 -3361 -319 -2103 68 -1928 26 1332 2004 1371 542 3147 -893 819 -3123 -1663 -3839 -1541 -1120 -505 2884 38 403 -2473 -2691 -3381 -1269 -574 -2442 -1595 -2662 1996 2904 3703 1921 3358 368 -1652 -2295 -3063 -172 -1073 3960 -121 5032 2866 4010 2020 -1623 -3704 -2925 1191 -2470 -232 -2980 -2074 -2319 -1392 1171 -145 4960 2229 2804 -573 -1616 -3583 SS 20240611T105130.0Z 8928.452431 88 1 48.82 2 75.32 71.92 116.71 27.08 0.00 1 0.00 1 0 33 2.929e-01 1.181e-02 4.002e-02 9.255e-04 6.056665e-01 5.180806e-04 8.580347e-03 -6.000000e+00 1.776430e-01 232.76 -2.00 3.51 -2.00 320.88 0.00e+00 3.439987e-03 2.313082e-04 8.113403e-03 -6.000000e+00 7.797009e-03 286.29 -2.00 20.00 -2.00 320.25 0.00e+00 3.866 0.001 302.00 328.00 3 4.4123e-01 1.7131e-03 6.3080e-02 -6.0000e+00 4.4605e-01 5.1714e-03 2.2599e-03 5.9090e-02 -6.0000e+00 4.8043e-01 -3.6509e-02 2.1501e-03 2.5536e-02 -6.0000e+00 2.8558e-01 5.5841e-03 1.0406e-03 5.1658e-03 -6.0000e+00 1.2108e-01 3.5513e-03 1.7350e-03 2.8037e-05 1.5322e-04 -6.0000e+00 8.6351e-03 1.8769e-02 0.0000e+00 12 8 8 10 0 0 0.44 23.02 0.31 0.01877 0.03181 651 150 1 5 0 74.970 26.41 20.00 23.02 18.43 24.8 991.58 -115240 -57780 -86158 -92742 -102178 -114895 -94832 -100342 -78834 -95915 -77121 -80010 -45704 -44234 -29580 -31154 -31761 -13840 -25780 -14525 -21681 -15962 -21259 -14973 -17193 -15676 -20409 -26572 -17422 -20224 -6532 -6618 -3644 -11227 -13925 -10748 -8879 -3215 -3803 -150 -1346 2292 1237 1242 1202 683 709 -1474 113 252 2436 2667 3532 2826 2028 2580 262 -306 -1262 354 1988 4214 4995 4044 885 -791 -809 189 3044 2244 2453 2234 1324 678 -1623 -3173 -4952 -4213 -2735 -1712 -1755 -2012 -2151 -798 601 1448 2267 1831 2080 1004 -77 -1940 -2739 -1340 -1117 -123 917 1768 371 -971 -2376 -2452 -797 -330 -1643 -1834 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