File name: Pandora177s1_WestportCT_20240615_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T061552.1Z 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_20240615_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: 20240615 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 20240615T103841.5Z 8932.443536 103 1 14.04 2 77.62 69.71 139.32 333.58 0.00 1 0.00 1 0 25 5.150e-01 3.541e-02 4.443e-01 2.843e-02 6.918691e-01 1.700599e-02 1.192755e-02 -6.000000e+00 3.171906e-01 232.94 -2.00 3.51 -2.00 321.58 0.00e+00 2.099772e-02 8.842580e-03 1.516430e-02 -6.000000e+00 1.728180e-02 286.68 -2.00 20.00 -2.00 321.02 0.00e+00 4.530 0.002 302.00 328.00 3 4.1950e+00 6.1591e-02 8.6882e-02 -6.0000e+00 7.9772e-01 4.9130e-01 7.6177e-02 7.7240e-02 -6.0000e+00 8.6180e-01 -7.3496e-01 6.0867e-02 3.3097e-02 -6.0000e+00 5.0830e-01 3.1264e-01 2.9731e-02 9.5300e-03 -6.0000e+00 2.1584e-01 3.5487e-05 -1.8374e-03 8.7413e-04 4.4759e-04 -6.0000e+00 1.6108e-02 2.4469e-02 0.0000e+00 12 9 9 12 1 1 99.92 23.30 0.82 0.02447 0.01066 3 3 1 5 0 3508.720 26.62 20.00 23.30 21.01 24.9 1006.33 -55521 47177 -62058 -29992 -105546 -84630 900000 -56893 900000 -152525 900000 900000 900000 -1455 43842 198643 -110132 3551 152591 900000 -37094 -85579 900000 -79047 900000 900000 201016 23139 140011 -10394 -58717 -30889 -15713 -64845 8304 27714 -23865 900000 108938 83305 40515 62651 -19927 -13288 70884 -4562 41409 8368 245416 58043 40453 35905 17566 51775 62315 20186 2267 40113 53010 2835 9528 -5775 11809 20180 16638 6556 27000 23386 7048 6445 15738 -1810 -358 1982 10248 5813 -6421 2239 8070 -5778 -9804 -1986 11279 -7852 -4556 -4246 4477 6283 4407 -2734 1512 -4942 -17237 -703 -4938 -1825 2251 3836 -2747 3313 -4492 -6857 -96 -2404 0 -1956 384 -3332 -381 1928 826 -1629 -3899 -2511 -315 222 2591 3748 1245 2497 3111 364 3478 3014 6845 -845 -3856 -1403 3496 -1842 -3717 751 -955 335 203 -352 1955 1289 13 -345 -572 -2640 -1536 1305 -1717 -830 -2920 -2341 900000 -1574 900000 -4689 900000 900000 900000 -40 1213 5496 -8295 98 4222 900000 -1482 -5262 900000 -4252 900000 900000 5561 640 3874 -355 -4013 -1910 -921 -6226 365 992 -1554 900000 3014 2711 2176 2855 -2173 -1406 3345 -475 2830 831 6790 3967 3621 3681 2316 5056 5578 2760 365 4309 4917 443 1504 -1203 2345 4040 3547 1515 5053 4796 1904 1951 4610 -636 -119 594 2552 1381 -1682 579 2298 -2247 -4595 -960 5140 -4587 -2729 -2681 2703 3773 2647 -1682 834 -2743 -10744 -401 -3391 -1425 1956 3683 -2977 3300 -4423 -6238 -78 -2062 0 -1888 386 -3779 -469 2599 1221 -2555 -6181 -3763 -442 305 3588 5422 1942 3905 4724 544 4857 4091 8612 -1107 -5239 -2025 5456 -3396 -7543 1541 -2112 780 499 -902 4975 3308 34 -838 -1302 -5814 SS 20240615T104320.0Z 8932.446759 106 1 48.96 2 76.80 70.41 139.70 335.20 0.00 1 0.00 1 0 33 4.977e-01 1.545e-02 3.421e-01 7.732e-03 6.740928e-01 4.553952e-03 1.012694e-02 -6.000000e+00 3.061594e-01 232.94 -2.00 3.51 -2.00 321.54 0.00e+00 5.399516e-03 2.443555e-03 1.311435e-02 -6.000000e+00 1.380970e-02 286.68 -2.00 20.00 -2.00 320.98 0.00e+00 4.268 0.001 302.00 328.00 3 3.1396e+00 1.6866e-02 8.6407e-02 -6.0000e+00 7.6928e-01 2.3890e-02 2.4046e-02 9.4129e-02 -6.0000e+00 8.3000e-01 -1.4079e-01 2.3952e-02 4.0050e-02 -6.0000e+00 4.9227e-01 5.4899e-02 1.1042e-02 6.7813e-03 -6.0000e+00 2.0754e-01 1.5518e-04 1.9464e-03 2.4348e-04 2.4440e-04 -6.0000e+00 1.4938e-02 1.7122e-02 0.0000e+00 12 8 8 10 0 0 99.87 23.30 0.30 0.01712 0.03175 86 20 1 5 0 569.160 26.62 20.00 23.30 21.08 24.9 1007.19 -203977 -142206 -139205 900000 -148302 900000 -120174 -53801 -44833 -217435 -204475 -189068 900000 -43500 900000 -65845 900000 10655 7416 -81557 -50291 900000 -67778 135004 79665 90439 -24991 13423 -31511 -30630 -29414 -39806 56611 -1224 60209 -23100 52030 -16664 -3850 -2760 -6560 5902 -13773 5743 13510 32551 8579 4148 -1497 -9491 5614 84 23599 6843 23209 7924 4784 4683 2778 1339 5304 8903 3444 10278 1243 3960 -3040 3410 4927 3814 3051 2750 5344 -800 3574 -8699 -2660 -2497 -3058 -3363 -3986 -1403 -748 592 -911 2041 1778 2508 598 -1290 -216 -6902 -4131 -5367 -892 -1167 1499 865 965 -860 -3411 -1703 -1205 385 -997 72 -1056 -752 1476 1487 2553 662 643 -1379 -1327 -1082 124 -326 1177 456 220 2039 1432 1062 416 -1351 -919 -327 24 -796 -891 -2092 -92 84 179 249 1042 1289 284 85 -1238 -842 -2078 -1071 -1048 900000 -1117 900000 -905 -405 -338 -4045 -3714 -3601 900000 -328 900000 -904 900000 90 70 -1842 -847 900000 -1471 1017 600 681 -447 164 -638 -706 -817 -1461 879 -35 907 -837 1029 -800 -196 -160 -435 369 -1096 387 865 1777 618 328 -134 -1010 576 10 2466 905 2742 1130 711 688 409 204 836 1529 707 2143 290 883 -736 838 1356 1190 1024 937 1710 -253 981 -2485 -704 -713 -1023 -1334 -1837 -703 -402 335 -557 1285 1169 1650 392 -819 -127 -4125 -2413 -3458 -632 -963 1380 889 1032 -904 -3350 -1499 -1027 337 -945 72 -1127 -870 1864 2088 3817 1036 987 -2063 -1898 -1526 178 -498 1853 730 345 3007 2051 1478 560 -1791 -1231 -476 40 -1467 -1764 -4431 -202 198 445 639 2700 3337 726 208 -2867 -1862 SS 20240615T105355.4Z 8932.454113 109 1 29.51 2 74.91 71.99 140.48 338.97 0.00 1 0.00 1 0 33 3.020e-01 1.227e-02 4.250e-02 1.192e-03 5.985271e-01 6.621342e-04 8.527674e-03 -6.000000e+00 1.832503e-01 232.94 -2.00 3.51 -2.00 320.77 0.00e+00 3.285090e-03 2.846126e-04 7.680405e-03 -6.000000e+00 8.051619e-03 286.68 -2.00 20.00 -2.00 320.14 0.00e+00 3.767 0.001 302.00 328.00 3 8.3847e-01 2.1200e-03 6.0299e-02 -6.0000e+00 4.6027e-01 -3.7100e-02 2.7934e-03 5.5912e-02 -6.0000e+00 4.9566e-01 -3.6605e-02 2.6732e-03 2.4398e-02 -6.0000e+00 2.9466e-01 1.0027e-02 1.3062e-03 4.9928e-03 -6.0000e+00 1.2492e-01 2.7150e-03 1.7898e-03 3.5771e-05 1.3275e-04 -6.0000e+00 8.9030e-03 1.5318e-02 0.0000e+00 12 9 9 12 1 1 96.10 23.30 0.34 0.01532 0.02877 257 98 1 5 0 114.340 26.62 20.00 23.30 21.77 25.1 1013.61 -85540 -107792 -107374 -103893 -98814 -115773 -91508 -90502 -101044 -71634 -86116 -72126 -73921 -37754 -25478 -24515 -13245 -27508 -22304 -21280 -16971 -25598 -10616 -11850 -16488 -13761 -21610 -17504 -23379 -10960 -14407 -2546 -6365 -11471 -11137 -10980 -6514 -4024 -736 -879 1758 -284 1348 1249 931 1840 245 495 -250 1712 1713 3357 2996 2921 2602 2751 1843 -619 -524 -469 2458 4330 5395 4121 1121 -612 -1504 -373 2368 2462 1629 2207 1269 609 -1310 -3269 -4586 -4658 -2577 -2451 -1740 -1909 -1966 -826 337 1633 2301 2305 1655 1150 -251 -1853 -2933 -1861 -1096 -78 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