File name: Pandora177s1_WestportCT_20240221_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T043555.3Z 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_20240221_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: 20240221 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 20240221T123214.7Z 8817.522392 246 1 48.15 2 81.50 112.21 106.22 325.56 0.00 1 0.00 1 0 25 6.114e-01 2.377e-02 4.472e-01 1.459e-02 9.493987e-01 9.004648e-03 1.217561e-02 -6.000000e+00 3.664302e-01 225.16 -2.00 3.51 -2.00 322.37 0.00e+00 -2.256670e-03 5.373534e-03 1.656382e-02 -6.000000e+00 1.665049e-02 275.52 -2.00 20.00 -2.00 321.99 0.00e+00 6.377 0.005 302.00 328.00 3 1.9895e+00 3.6269e-02 1.1635e-01 -6.0000e+00 9.0622e-01 6.2485e-01 5.4290e-02 1.1400e-01 -6.0000e+00 9.8522e-01 -1.0231e+00 5.6077e-02 5.7475e-02 -6.0000e+00 5.8287e-01 4.1496e-01 2.5272e-02 1.6046e-02 -6.0000e+00 2.4921e-01 5.1293e-05 1.6938e-03 4.4276e-04 4.8755e-04 -6.0000e+00 1.8107e-02 4.5892e-03 0.0000e+00 12 9 8 11 8 0 97.26 23.17 0.50 0.00459 0.01732 34 8 1 5 0 1415.920 26.51 19.96 23.17 -2.29 21.7 843.67 -46547 900000 -151724 -80343 900000 900000 -261416 -215843 -219149 -207784 -165670 -195541 63684 46777 -53972 -149582 900000 -110770 100357 15582 900000 -81365 900000 900000 -99795 -63925 -67872 -81689 -88284 -79104 900000 -27099 92995 80603 -19625 -63448 -10713 8680 -6638 102797 2325 43546 14083 19327 21873 -18656 36660 -4714 54670 7912 70902 36607 28518 24364 25631 22205 60447 54871 11118 70010 28633 42424 30702 33265 14560 13135 20606 30285 36715 37725 25099 12536 15558 20392 -1077 -16963 -13229 476 10281 3737 10462 2516 1450 7001 4345 -3415 6629 5213 1363 -103 -3054 -4027 -5019 -7496 -5338 -990 -1106 1189 816 -1551 -909 -6217 -566 -3399 -2722 -5486 -3781 -3856 2771 -1523 851 -1558 -1571 -3056 762 -1189 -219 1008 1526 2661 1788 3725 2202 1344 2151 -283 1102 3469 1349 -1784 -640 -1644 -512 -684 459 1236 875 1164 518 -734 -2093 -1252 -661 900000 -2155 -1141 900000 900000 -5570 -3258 -3697 -3321 -2353 -3646 905 664 -767 -4250 900000 -2518 1426 221 900000 -1387 900000 900000 -2552 -1150 -1221 -1625 -1923 -1798 900000 -539 1321 1145 -390 -1983 -223 181 -195 1460 79 1031 453 586 642 -830 972 -201 1398 360 1947 1595 1485 1431 1578 1472 2944 2728 812 2771 1801 2626 2461 2903 1610 1493 2258 3319 4322 4938 3973 2264 2589 2938 -172 -2909 -2188 76 1784 838 2590 768 490 2387 1609 -1438 2617 2095 553 -40 -1168 -1516 -1986 -3431 -2833 -600 -786 934 683 -1299 -687 -4422 -360 -2283 -1933 -4258 -3100 -3521 2733 -1811 1104 -2202 -2250 -4356 1016 -1607 -302 1444 2256 3872 2511 4861 2817 1694 2612 -343 1360 4713 2197 -3448 -1352 -3791 -1261 -1819 1279 3536 2540 3355 1458 -1961 -5204 -2903 SS 20240221T124621.7Z 8817.532195 251 1 48.95 2 79.06 114.71 107.63 328.41 0.00 1 0.00 1 0 25 6.302e-01 1.284e-02 3.322e-01 4.494e-03 8.041511e-01 2.565348e-03 1.120287e-02 -6.000000e+00 3.735078e-01 225.16 -2.00 3.51 -2.00 321.79 0.00e+00 9.561110e-03 1.381167e-03 1.139677e-02 -6.000000e+00 1.605656e-02 275.52 -2.00 20.00 -2.00 321.36 0.00e+00 5.081 0.002 302.00 328.00 3 1.6610e+00 9.3208e-03 8.0690e-02 -6.0000e+00 9.2504e-01 1.3697e-01 1.4850e-02 7.0579e-02 -6.0000e+00 1.0042e+00 -2.2583e-01 1.7193e-02 5.0236e-02 -6.0000e+00 5.9680e-01 8.2918e-02 7.8428e-03 2.2185e-02 -6.0000e+00 2.5405e-01 2.7152e-04 1.3268e-03 1.3096e-04 4.5697e-04 -6.0000e+00 1.8534e-02 5.2016e-03 0.0000e+00 12 8 8 10 0 0 76.26 23.16 0.47 0.00520 0.01517 104 24 1 5 0 470.560 26.51 19.97 23.16 -1.66 21.8 848.89 -155749 -244447 -134945 -215340 -235047 -241512 -135495 54361 -208182 69706 -258014 36763 -183611 -78667 -113032 900000 -98464 34941 141220 -57817 -51980 -115541 -83785 -59660 -73757 -50653 -41899 11764 -58727 9106 -19919 -9994 -6907 -7926 -48361 -26811 6553 -13116 13598 4669 20872 4096 -1752 -828 2913 14355 76 5558 426 11136 1034 9719 203 6747 5947 3255 594 390 2621 -3668 1709 1737 7601 9637 6590 5780 -2830 4187 4239 5732 1751 4713 583 -2263 -3110 -3445 -6525 -6510 -1374 -2583 111 -1649 -883 -1420 1265 1946 2819 2521 368 586 -906 -1609 -3180 -2633 -1423 -692 1308 2091 1297 -1077 -1252 -3443 -1576 -456 -1678 -1654 -1416 199 1019 1412 1144 463 -890 -1810 -1494 -863 825 346 1486 400 1594 2148 1669 1080 -51 -1429 -1764 709 -664 -695 -1066 -975 -534 -54 631 -238 1077 1093 766 -226 -558 -1095 -682 -1655 -591 -1115 -1404 -1539 -594 238 -1244 305 -3083 161 -1828 -376 -990 900000 -1059 153 619 -530 -455 -1933 -1175 -706 -1066 -599 -459 77 -849 80 -297 -166 -127 -153 -1377 -634 126 -373 357 155 658 165 -79 -38 135 623 4 299 26 688 80 779 20 662 620 361 68 44 284 -427 204 237 1129 1566 1158 1028 -562 842 971 1456 495 1311 162 -597 -747 -764 -1481 -1623 -385 -882 43 -737 -425 -732 673 1087 1625 1471 215 325 -479 -821 -1674 -1522 -948 -540 1164 2077 1372 -1136 -1204 -3032 -1292 -381 -1506 -1572 -1432 218 1250 1953 1743 741 -1441 -2856 -2259 -1280 1238 548 2426 663 2516 3210 2414 1526 -70 -1939 -2444 1060 -1161 -1377 -2312 -2255 -1194 -128 1581 -621 2818 2858 1964 -554 -1398 -2613 SS 20240221T125210.4Z 8817.536232 254 1 48.66 2 78.07 115.76 108.19 329.61 0.00 1 0.00 1 0 25 4.650e-01 1.450e-02 3.186e-01 6.975e-03 7.490751e-01 4.042518e-03 1.101118e-02 -6.000000e+00 2.820523e-01 225.16 -2.00 3.51 -2.00 321.65 0.00e+00 1.107946e-02 2.085468e-03 1.118480e-02 -6.000000e+00 1.299391e-02 275.52 -2.00 20.00 -2.00 321.21 0.00e+00 4.691 0.002 302.00 328.00 3 2.8257e+00 1.4177e-02 7.5446e-02 -6.0000e+00 6.9858e-01 1.2046e-01 2.1352e-02 6.6330e-02 -6.0000e+00 7.6023e-01 -2.1604e-01 2.4088e-02 4.7353e-02 -6.0000e+00 4.4579e-01 8.4892e-02 1.1180e-02 2.1163e-02 -6.0000e+00 1.8858e-01 1.2836e-04 1.2673e-03 2.1070e-04 4.3071e-04 -6.0000e+00 1.4050e-02 5.9799e-03 0.0000e+00 12 9 8 11 8 0 97.41 23.15 0.42 0.00598 0.01550 39 9 1 5 0 1247.430 26.51 20.01 23.15 -1.27 21.8 851.14 -89833 -249860 900000 -205847 900000 900000 900000 4232 900000 -108239 -151070 -87662 -152806 -74043 -150456 900000 -53061 -108534 -111004 -34844 -11503 -100241 -1353 -42585 900000 -67018 6219 -80453 -77577 11004 -40249 54096 -41663 19559 -23814 14469 1690 -32068 6225 -8958 117 -5750 14226 20559 38947 15 11997 -8421 7918 19438 14364 18886 1992 12974 1458 9011 6767 -2915 6510 3335 3156 -3168 7998 6335 4267 3053 1775 812 3326 6752 3023 9235 849 -1666 -6435 -1515 -5682 -8040 -388 -756 -897 -2378 -2960 345 1980 1245 2709 3053 -807 1708 -2870 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