File name: Pandora177s1_WestportCT_20240308_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T173227.1Z 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_20240308_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: 20240308 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 20240308T122030.0Z 8833.514236 69 1 13.12 2 78.84 106.27 74.68 133.28 0.00 1 0.00 1 0 25 5.688e-01 3.249e-02 3.650e-01 2.118e-02 6.822306e-01 1.233247e-02 1.082035e-02 -6.000000e+00 3.465408e-01 225.88 -2.00 3.51 -2.00 321.42 0.00e+00 1.230937e-02 5.851793e-03 1.177212e-02 -6.000000e+00 1.657508e-02 276.55 -2.00 20.00 -2.00 320.96 0.00e+00 4.988 0.002 302.00 328.00 3 3.5311e+00 4.1619e-02 7.7130e-02 -6.0000e+00 8.6514e-01 4.2553e-01 5.4609e-02 6.6104e-02 -6.0000e+00 9.4327e-01 -6.4446e-01 5.1194e-02 4.3656e-02 -6.0000e+00 5.4883e-01 2.8187e-01 2.4536e-02 1.8510e-02 -6.0000e+00 2.3517e-01 4.8244e-05 1.2717e-03 6.6332e-04 4.3566e-04 -6.0000e+00 1.7681e-02 7.0136e-03 0.0000e+00 12 9 9 12 1 1 47.37 23.10 0.47 0.00701 0.01657 3 3 1 5 0 3278.350 26.41 20.02 23.10 6.03 22.7 903.84 900000 -144163 900000 -142479 900000 -126624 900000 900000 900000 -27153 900000 203712 -157064 900000 -110048 900000 122733 20117 134202 175800 900000 -54926 900000 557 -69784 -74890 37216 -45191 -49201 324745 -32327 900000 99270 37338 -18827 29495 -59746 13478 118172 27472 93420 38917 86131 -3793 37724 42124 38189 62744 45582 32086 11706 68942 10270 25855 27001 7947 9547 13221 14903 23620 34998 7179 9217 1610 18340 14107 19502 11901 -5519 12959 -2912 3078 2532 4063 -10372 -7426 813 -10717 6251 -9771 1351 -1738 -8465 -1946 -3040 2589 3826 9441 -1861 9373 665 -5589 -8848 -4745 -335 -888 461 -169 2268 -317 -1042 -9661 -854 -2175 -3438 2124 -6229 -371 1498 1717 -970 -1700 -1042 -701 -1030 -1040 2623 2292 3073 -193 1513 2335 3942 600 2538 1196 -1723 2428 -916 -232 -951 -373 -1896 -1020 2037 -1640 2567 2112 687 -1504 -498 -2598 900000 -5114 900000 -4565 900000 -2898 900000 900000 900000 -559 900000 4196 -8628 900000 -6045 900000 2528 414 2764 3621 900000 -2389 900000 15 -3594 -4028 767 -1862 -2206 6689 -1684 900000 2045 1267 -1072 1036 -5647 719 2577 1664 3169 2405 3444 -381 2560 2807 2730 3649 3314 2877 1418 5179 1493 3384 3599 1300 1527 1986 2149 3148 4453 1357 1932 398 3933 3094 4041 2826 -1752 3816 -1069 1074 853 1246 -3318 -2106 220 -3285 1996 -4085 584 -866 -4862 -1111 -1860 1584 2411 5685 -1229 5270 382 -3432 -5264 -3115 -228 -709 419 -173 2385 -333 -1009 -9213 -714 -1905 -3249 2013 -6823 -417 1846 2362 -1487 -2714 -1633 -1050 -1478 -1469 3671 3394 4737 -311 2344 3440 5513 841 3362 1549 -2315 3410 -1510 -424 -1892 -779 -4261 -2286 4679 -4043 6160 5096 1646 -3500 -1134 -5728 SS 20240308T122515.1Z 8833.517536 72 1 35.97 2 77.98 107.10 74.04 134.20 0.00 1 0.00 1 0 25 4.329e-01 1.796e-02 3.092e-01 9.824e-03 6.312491e-01 5.428988e-03 1.027707e-02 -6.000000e+00 2.561556e-01 225.88 -2.00 3.51 -2.00 321.28 0.00e+00 1.397754e-02 2.515468e-03 1.083426e-02 -6.000000e+00 1.107130e-02 276.55 -2.00 20.00 -2.00 320.80 0.00e+00 4.659 0.002 302.00 328.00 3 3.2943e+00 1.7921e-02 7.1170e-02 -6.0000e+00 6.3477e-01 2.3771e-01 2.3816e-02 6.0664e-02 -6.0000e+00 6.8807e-01 -2.8646e-01 2.3752e-02 4.0221e-02 -6.0000e+00 4.0890e-01 1.0673e-01 1.1461e-02 1.7005e-02 -6.0000e+00 1.7451e-01 8.8928e-05 3.3771e-04 2.9803e-04 3.6131e-04 -6.0000e+00 1.2730e-02 1.0779e-02 0.0000e+00 12 9 9 12 1 1 99.72 23.10 0.20 0.01078 0.01332 15 5 1 5 0 2247.550 26.51 19.98 23.10 6.19 22.7 905.00 -97769 -134380 -130999 -179043 -215671 45528 -122053 -46501 -158140 -71027 -129782 -37780 -103641 -53507 -7078 -89288 -4445 56073 57168 -51035 -8825 -39909 -22582 -31082 -24396 -21298 -58229 96658 -39500 -47260 -25924 23180 14878 34117 43067 -11506 44584 15803 2552 -1847 19365 5625 16526 -4861 9754 19512 15307 14630 7405 18319 -68 19859 10621 15221 1097 6840 7067 -1949 -2473 -2298 12878 7776 14138 12356 8581 6596 1150 2064 5414 6271 -995 4646 4627 306 -1223 -9791 -5287 -6733 -4669 -2095 346 -3419 -1252 225 -217 1094 1151 1516 957 37 -1081 -2056 -1113 -3985 -1507 -2434 2092 472 36 -1043 -2039 -2963 -2173 -773 -2413 -3084 -1376 -1001 1897 914 1740 644 492 -1007 -844 -1056 207 526 1092 2240 1305 2649 2210 1004 -297 -1360 -1722 1126 425 -671 -270 -1414 -331 -286 -260 10 540 979 634 -491 -504 -1070 -937 -2120 -2067 -4338 -6927 436 -1513 -445 -3119 -680 -2121 -362 -2102 -874 -97 -3119 -80 604 650 -1772 -201 -1219 -581 -893 -672 -574 -2266 926 -1372 -2037 -1102 722 561 1083 1212 -565 1388 776 168 -144 1333 475 1316 -498 893 1682 1430 1436 825 1974 -10 2568 1628 2351 202 1208 1244 -369 -463 -438 2267 1625 3140 3055 2260 1734 317 596 1695 2178 -397 1775 1707 110 -430 -3427 -1715 -2361 -1851 -957 167 -1906 -735 138 -142 749 822 1093 680 27 -745 -1346 -712 -2812 -1184 -2243 1986 507 41 -1169 -2112 -2990 -2084 -756 -2554 -3478 -1618 -1267 2428 1313 2674 1030 775 -1536 -1222 -1504 299 797 1731 3573 2060 4230 3417 1520 -439 -1956 -2493 1712 734 -1224 -528 -2945 -721 -662 -636 27 1386 2510 1606 -1201 -1158 -2354 SS 20240308T123035.3Z 8833.521242 75 1 48.77 2 77.02 108.05 73.33 135.24 0.00 1 0.00 1 0 25 3.008e-01 1.146e-02 1.945e-01 4.156e-03 5.929260e-01 2.269173e-03 7.806973e-03 -6.000000e+00 1.779920e-01 225.88 -2.00 3.51 -2.00 320.99 0.00e+00 7.196342e-03 9.880163e-04 5.696556e-03 -6.000000e+00 7.692279e-03 276.55 -2.00 20.00 -2.00 320.51 0.00e+00 4.339 0.001 302.00 328.00 3 2.6033e+00 7.2014e-03 5.7196e-02 -6.0000e+00 4.4108e-01 5.9057e-02 9.7025e-03 4.1032e-02 -6.0000e+00 4.7810e-01 -7.2939e-02 1.0158e-02 2.8416e-02 -6.0000e+00 2.8412e-01 2.1286e-02 4.9583e-03 1.2400e-02 -6.0000e+00 1.2127e-01 2.6465e-04 3.7439e-04 1.2642e-04 1.9009e-04 -6.0000e+00 8.8442e-03 9.9613e-03 0.0000e+00 12 9 8 11 8 0 99.01 23.10 0.43 0.00996 0.01277 56 13 1 5 0 870.760 26.51 20.03 23.10 6.40 22.8 906.26 -102191 -109396 -101605 -93173 53348 -57084 -156721 -61464 -72185 -89951 -78357 -91348 -11083 -85402 2390 -33177 48083 -11599 -23537 -8828 -20166 17539 -28421 4251 -18618 -10325 -34764 -24406 -25299 -9160 -34423 -9113 -2247 -4350 -15257 6720 -5408 -8473 -9585 -3793 -669 -4128 5166 1911 7108 7277 1224 -4189 -2372 -2043 -794 4471 3152 3956 2690 4710 -819 -3505 380 -1437 3383 5189 7266 6536 1320 -1638 -236 -1152 413 3920 2895 1991 1904 1976 497 -2843 -4769 -4525 -2630 -2882 -1652 -805 -2070 -1333 112 1043 1350 1854 1664 700 -213 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