File name: Pandora177s1_WestportCT_20240220_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T043617.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240220_L1_smca1c7d20230401p1-8.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: 20240220 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240220T123314.6Z 8816.523086 223 1 48.27 2 81.60 112.62 108.68 337.32 0.00 1 0.00 1 0 25 6.219e-01 2.263e-02 4.341e-01 1.239e-02 8.752729e-01 7.549011e-03 1.124414e-02 -6.000000e+00 3.824429e-01 225.11 -2.00 3.51 -2.00 322.23 0.00e+00 2.370828e-02 4.337288e-03 5.219182e-03 -6.000000e+00 1.709253e-02 275.46 -2.00 20.00 -2.00 321.84 0.00e+00 6.443 0.005 302.00 328.00 3 1.6283e+00 2.8985e-02 8.0726e-02 -6.0000e+00 9.5556e-01 7.1092e-01 4.2388e-02 5.6192e-02 -6.0000e+00 1.0443e+00 -9.8598e-01 4.4008e-02 3.3245e-02 -6.0000e+00 6.0739e-01 3.9967e-01 1.9982e-02 2.8729e-02 -6.0000e+00 2.5206e-01 6.4553e-05 7.7227e-04 3.7513e-04 5.5244e-04 -6.0000e+00 1.9204e-02 7.0313e-03 0.0000e+00 12 9 8 11 8 0 98.72 23.03 0.58 0.00703 0.01283 42 10 1 5 0 1149.090 26.41 20.02 23.03 -2.55 21.7 841.49 -265027 -116823 34600 -193922 -138040 900000 900000 900000 -197920 900000 -5005 -194492 900000 -140878 -22357 135483 900000 900000 11887 92800 -29630 110548 -89001 900000 -74434 206040 -84140 -74938 -51440 20511 105332 126328 159963 -14197 900000 15526 161923 5319 63821 54460 -30696 74453 -30189 43199 1439 52566 54725 74632 69694 24890 48278 25214 77277 35797 53845 34135 32042 39864 -1921 22288 1445 30614 7155 36180 14330 30588 15999 12491 30418 12436 26753 6487 11869 2462 9462 4892 1977 -10773 -5290 735 -6285 5706 -4208 875 3175 -261 5864 1394 776 351 -112 -3236 -982 -6691 -2675 -3787 -865 2779 -1172 223 -3758 -4659 -147 1550 -4046 -2962 -1487 -2319 1010 -553 369 -1123 -889 -2045 -1526 -2228 228 -510 1117 1232 964 3719 6371 1276 925 226 -1112 609 48 -640 -451 683 61 373 481 287 54 1026 141 -219 -1079 -2320 -10167 -1409 417 -3826 -1664 900000 900000 900000 -2820 900000 -60 -3624 900000 -3088 -270 1634 900000 900000 143 1119 -422 1333 -2049 900000 -1387 2484 -1660 -1396 -846 247 1270 1523 1929 -358 900000 272 1952 128 979 1015 -1447 1436 -1588 1250 60 1521 1650 1980 2101 1290 2212 1611 3168 2331 2986 2305 2163 2403 -171 1585 138 2510 863 3664 1901 3467 2141 1867 4291 2339 4613 1369 2247 466 1495 743 310 -2143 -1199 191 -2054 1864 -1644 344 1286 -115 2531 635 348 151 -46 -1303 -395 -3187 -1451 -2493 -652 2295 -1072 197 -3135 -3488 -99 1049 -3073 -2364 -1255 -2186 1055 -673 494 -1608 -1276 -2892 -2080 -3041 314 -746 1677 1849 1394 4968 7989 1640 1158 277 -1420 857 80 -1218 -943 1517 147 955 1302 805 153 2885 389 -572 -2624 -5374 SS 20240220T124858.9Z 8816.534015 228 1 48.52 2 78.89 115.41 109.72 340.70 0.00 1 0.00 1 0 25 5.286e-01 1.449e-02 3.248e-01 5.400e-03 7.376364e-01 3.048909e-03 1.065916e-02 -6.000000e+00 3.118294e-01 225.11 -2.00 3.51 -2.00 321.61 0.00e+00 1.063593e-02 1.560644e-03 1.023446e-02 -6.000000e+00 1.365709e-02 275.46 -2.00 20.00 -2.00 321.17 0.00e+00 5.009 0.002 302.00 328.00 3 2.0848e+00 1.0628e-02 7.4364e-02 -6.0000e+00 7.7168e-01 1.4146e-01 1.5895e-02 6.1211e-02 -6.0000e+00 8.3708e-01 -2.1034e-01 1.7881e-02 4.5502e-02 -6.0000e+00 4.9773e-01 7.8407e-02 8.3248e-03 2.1241e-02 -6.0000e+00 2.1333e-01 2.0132e-04 1.0322e-03 1.6041e-04 4.1481e-04 -6.0000e+00 1.5605e-02 7.0804e-03 0.0000e+00 12 8 8 10 0 0 95.44 23.05 0.43 0.00708 0.01484 66 15 1 5 0 735.010 26.41 19.96 23.05 -2.13 21.7 844.97 -165490 10225 900000 -29110 -119956 -235531 -202988 -129753 -202398 -237164 -169520 -71713 28493 2943 -146203 -119487 -62038 -96919 -51195 -99386 40354 40799 -25071 19150 -41695 -63524 -45057 -36184 3609 -12317 63659 30195 20911 -8831 -25483 -40216 -18736 1557 39074 6833 1157 -3301 13954 13649 -12179 6666 1844 3390 10111 5921 6085 9616 8129 4017 4478 3801 2450 3561 2159 1212 9594 7825 6652 7070 -165 2723 -1026 1423 4270 6435 2666 3479 935 -1896 -2293 -5027 -5716 -5293 1256 808 498 -2201 -2852 -1897 -512 3095 1873 4077 493 1622 847 -3949 -4740 -4419 -775 -2 1720 1221 1332 -50 -2643 -2473 -743 -735 -2790 -2475 -1437 -320 1280 1255 848 -139 -845 -1434 -1213 -843 979 1053 1773 590 1733 1535 1874 542 -237 -481 -845 1035 -89 -709 -1471 -1697 -519 -171 390 195 842 1384 926 91 -606 -1490 -871 54 900000 -153 -631 -2480 -1651 -683 -1937 -3405 -1379 -377 150 15 -2799 -2116 -713 -1762 -637 -2093 234 236 -290 151 -636 -1237 -735 -552 40 -188 570 461 396 -232 -778 -1461 -621 51 1049 291 58 -186 698 711 -853 404 123 237 713 480 554 947 890 491 570 502 330 467 282 162 1273 1203 1187 1392 -36 579 -229 335 1108 1836 845 1108 294 -567 -623 -1289 -1453 -1457 380 294 211 -1077 -1522 -1067 -301 1859 1187 2554 313 971 480 -2233 -2717 -2759 -540 -2 1588 1269 1458 -54 -2671 -2246 -633 -645 -2660 -2491 -1523 -366 1620 1787 1322 -226 -1379 -2262 -1828 -1248 1461 1654 2890 982 2765 2345 2750 781 -333 -654 -1168 1542 -154 -1383 -3135 -3851 -1239 -396 948 493 2143 3506 2308 216 -1491 -3516 SS 20240220T125445.5Z 8816.538027 231 1 48.85 2 77.91 116.46 110.06 341.96 0.00 1 0.00 1 0 25 4.518e-01 1.267e-02 2.690e-01 5.947e-03 6.862468e-01 3.397919e-03 9.297582e-03 -6.000000e+00 2.684082e-01 225.11 -2.00 3.51 -2.00 321.52 0.00e+00 6.829246e-03 1.685441e-03 8.653951e-03 -6.000000e+00 1.182065e-02 275.46 -2.00 20.00 -2.00 321.08 0.00e+00 4.634 0.002 302.00 328.00 3 2.6191e+00 1.1706e-02 6.8594e-02 -6.0000e+00 6.6550e-01 7.1483e-02 1.6886e-02 5.7728e-02 -6.0000e+00 7.2277e-01 -1.5739e-01 1.8462e-02 3.8612e-02 -6.0000e+00 4.2782e-01 6.2982e-02 8.6942e-03 1.5665e-02 -6.0000e+00 1.8231e-01 1.8263e-04 1.1026e-03 1.8571e-04 3.0366e-04 -6.0000e+00 1.3665e-02 7.4952e-03 0.0000e+00 12 9 8 11 8 0 99.30 23.06 0.20 0.00750 0.01578 68 16 1 5 0 718.200 26.41 20.02 23.06 -1.94 21.7 846.01 -91976 -191988 -143797 900000 -84137 -134999 -216577 900000 -99242 -187357 -192748 -55417 900000 -112412 900000 -102149 -42992 -56242 -39071 -8343 -30443 -5566 -32139 17043 -61394 -2483 -15278 -36395 -29064 -17217 -4425 -8602 18638 13323 -1574 -32995 -19097 -22528 4122 2095 -14068 13759 5102 27132 -7838 14467 -15022 12993 9007 -2227 10351 4969 11999 5598 12901 -2034 6643 229 3267 2801 3261 11634 3580 8877 2530 5207 1020 530 3427 3417 1058 2837 3468 -1697 -1723 -3529 -6200 -5321 235 -1559 -1621 -42 -2322 -1199 -299 1740 168 1219 1482 376 1235 -1970 -2850 -2693 -1631 -317 728 1356 318 -45 -2601 -1721 105 404 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