File name: Pandora177s1_WestportCT_20240414_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T180438.7Z 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_20240414_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: 20240414 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 20240414T112802.9Z 8870.477811 98 1 48.55 2 77.18 88.27 108.77 19.27 0.00 1 0.00 1 0 25 4.250e-01 1.149e-02 3.133e-01 4.940e-03 7.002698e-01 2.856148e-03 9.439487e-03 -6.000000e+00 2.550979e-01 228.56 -2.00 3.51 -2.00 321.48 0.00e+00 6.405113e-03 1.469565e-03 8.618350e-03 -6.000000e+00 1.237472e-02 280.21 -2.00 20.00 -2.00 320.99 0.00e+00 4.385 0.001 302.00 328.00 3 2.6506e+00 1.0053e-02 6.8959e-02 -6.0000e+00 6.3431e-01 1.7253e-02 1.4782e-02 6.1394e-02 -6.0000e+00 6.8599e-01 -6.1039e-02 1.6102e-02 3.6616e-02 -6.0000e+00 4.0739e-01 1.5173e-02 7.4926e-03 1.2629e-02 -6.0000e+00 1.7548e-01 2.1366e-04 3.7895e-04 1.4991e-04 2.6434e-04 -6.0000e+00 1.2939e-02 5.7480e-03 0.0000e+00 12 8 8 10 0 0 98.05 23.00 0.52 0.00575 0.00860 58 13 1 5 0 836.980 26.41 19.99 23.00 11.52 23.7 944.47 -48569 -143056 900000 900000 900000 -217948 -93066 -178214 -110487 -172271 900000 -92362 900000 -52266 159175 -42009 -100008 32646 -80187 -13066 5822 -3272 25721 -73550 63760 -59885 8051 -73028 -26112 -31488 40365 -7303 -20524 11744 -14285 -20968 -33745 -5307 -374 -2562 3859 3688 -2138 -7245 13059 -5063 11769 -8161 1122 -4212 4008 18072 7295 -800 1603 -1705 -1410 3316 1864 422 -988 7326 6813 2140 1708 -3235 2293 1301 4615 2316 2376 3618 2134 2761 -5638 -3307 -5857 -3694 -49 -220 -805 -464 -1322 -2075 23 319 2102 1204 2085 1188 1607 -740 -3683 -1090 -2095 -503 268 1647 784 -904 -2313 -2077 129 -319 -1142 -2256 -1002 -679 1430 700 1377 538 -365 -958 -1690 -195 103 898 1262 910 944 1213 1776 283 -313 -1696 -868 544 -138 -589 -1171 -1070 -604 -81 80 106 720 1163 779 260 -323 -1326 -234 -688 900000 900000 900000 -1812 -448 -1247 -532 -1357 900000 -444 900000 -297 766 -331 -1619 157 -1298 -114 43 -27 169 -1416 368 -1127 85 -1597 -415 -551 466 -165 -602 260 -406 -656 -1364 -197 -16 -131 206 213 -138 -509 773 -373 765 -683 92 -399 394 1731 857 -110 227 -259 -217 482 270 63 -159 1223 1305 475 395 -780 526 323 1257 729 805 1236 718 860 -1734 -909 -1607 -1059 -16 -84 -359 -232 -724 -1221 14 207 1399 819 1380 757 957 -427 -2177 -677 -1505 -415 253 1714 870 -999 -2374 -1919 111 -284 -1092 -2310 -1075 -787 1811 999 2123 869 -588 -1492 -2530 -281 152 1382 2029 1490 1509 1851 2596 407 -435 -2308 -1175 788 -228 -1097 -2377 -2298 -1370 -194 186 255 1753 2832 1872 658 -770 -3029 SS 20240414T113341.4Z 8870.481729 101 1 48.90 2 76.11 89.19 108.43 20.48 0.00 1 0.00 1 0 25 3.385e-01 1.123e-02 2.252e-01 3.232e-03 6.471319e-01 1.797739e-03 8.729146e-03 -6.000000e+00 2.024727e-01 228.56 -2.00 3.51 -2.00 321.18 0.00e+00 6.041875e-03 8.541936e-04 7.755027e-03 -6.000000e+00 8.788847e-03 280.21 -2.00 20.00 -2.00 320.68 0.00e+00 4.072 0.001 302.00 328.00 3 2.3989e+00 6.0315e-03 6.2886e-02 -6.0000e+00 5.0427e-01 2.1279e-02 8.4139e-03 5.5296e-02 -6.0000e+00 5.4508e-01 -7.7731e-02 8.7844e-03 3.2371e-02 -6.0000e+00 3.2395e-01 2.6457e-02 4.1796e-03 1.0849e-02 -6.0000e+00 1.3806e-01 3.9163e-04 5.8619e-04 9.6201e-05 2.1916e-04 -6.0000e+00 9.9592e-03 5.4703e-03 0.0000e+00 12 8 8 10 0 0 99.09 22.98 0.29 0.00547 0.00988 83 19 1 5 0 589.050 26.32 20.02 22.98 11.74 23.7 945.77 -128249 -114170 -87139 26011 -122901 2684 -126892 -16399 -136798 -20371 -149877 -62209 -70180 -97052 -10605 -83721 -30396 -75408 1659 -44809 6546 -37963 -23524 -17483 -40638 -3751 -42803 295 -45192 -7070 -18164 -3070 10827 -17405 -8718 -21426 -2974 2236 -4288 -5114 -2198 2132 2289 6145 -1171 7599 -3679 8602 1303 6046 258 890 5039 3049 5700 -544 2342 -960 -502 -2615 3392 6063 4665 5464 358 2712 -2112 2142 2209 2820 2782 802 1296 -1139 -467 -3727 -3101 -4987 -2073 -1112 -857 -739 -3753 -326 56 1335 2286 1833 942 1231 125 -1270 -1864 -1586 -278 -949 1274 1412 657 -834 -1652 -2142 -1880 97 -1850 -1498 -1616 -349 872 958 1209 19 -38 -923 -693 -979 429 677 1264 749 724 1747 1611 1098 -215 -1386 -1333 523 -272 -878 -1092 -1315 -223 -88 193 -206 858 948 553 109 -546 -1043 -735 -654 -399 82 -739 8 -873 -52 -1293 -64 -1889 -392 -623 -1474 -85 -1655 -401 -1728 21 -860 85 -778 -437 -331 -1037 -69 -1160 5 -1310 -158 -550 -96 331 -730 -330 -945 -124 107 -265 -369 -171 171 192 511 -108 661 -371 802 139 669 34 129 767 507 972 -102 434 -182 -93 -499 651 1273 1125 1433 102 740 -604 625 727 1039 1103 331 517 -435 -161 -1212 -970 -1683 -781 -490 -436 -421 -2384 -213 38 969 1719 1402 714 887 85 -828 -1208 -1096 -216 -860 1294 1598 789 -994 -1821 -2148 -1801 94 -1950 -1666 -1906 -439 1202 1466 1813 29 -58 -1512 -1078 -1495 660 1094 2132 1294 1226 2813 2503 1659 -317 -1987 -1910 794 -468 -1697 -2071 -2635 -468 -196 455 -506 2125 2357 1357 257 -1215 -2219 SS 20240414T114411.6Z 8870.489024 104 1 21.09 2 74.13 90.92 107.74 22.69 0.00 1 0.00 1 0 25 2.437e-01 1.168e-02 8.910e-02 2.654e-03 5.754014e-01 1.437781e-03 7.639133e-03 -6.000000e+00 1.457764e-01 228.56 -2.00 3.51 -2.00 320.61 0.00e+00 5.239940e-03 5.717934e-04 5.224093e-03 -6.000000e+00 6.327924e-03 280.22 -2.00 20.00 -2.00 320.05 0.00e+00 3.594 0.001 302.00 328.00 3 2.2923e+00 4.4045e-03 5.1205e-02 -6.0000e+00 3.6307e-01 3.7956e-03 5.6720e-03 3.9940e-02 -6.0000e+00 3.9245e-01 -3.5296e-02 5.5356e-03 2.3357e-02 -6.0000e+00 2.3324e-01 7.5973e-03 2.7577e-03 8.1928e-03 -6.0000e+00 9.9397e-02 7.3824e-04 4.0608e-04 7.9525e-05 1.4138e-04 -6.0000e+00 7.1706e-03 5.6016e-03 0.0000e+00 12 9 9 12 1 1 99.26 23.00 0.35 0.00560 0.00865 50 27 1 5 0 413.350 26.41 19.99 23.00 12.13 23.7 948.57 -81652 -112073 -73178 -87332 -42047 -67665 -84240 -90008 -57203 -53851 -89249 -60661 -52347 -24306 -24316 -7338 -13342 -7318 -14531 -23880 -8298 -21889 -22296 -13323 -8978 -15260 -11013 -20148 -24679 -9452 -15489 -4948 -6975 -2393 -9913 -8720 -6649 413 -1042 -2432 497 -265 -360 331 4213 457 -143 268 -854 -327 151 4380 2153 3366 1187 2971 305 -59 -595 217 2869 2711 4986 4673 1842 831 -1328 -563 3129 2283 2123 2105 1025 589 -1398 -3643 -4208 -4089 -2313 -2605 -1375 -2516 -2029 -1065 544 818 1590 1831 1802 1226 293 -1532 -3144 -1691 -1092 -282 1110 1770 418 -664 -1822 -2476 -522 -36 -1611 -1955 -1521 -530 905 1854 1312 670 143 -795 -992 -616 151 545 1247 427 999 1242 1703 769 290 -1203 -1361 515 -322 -675 -940 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