File name: Pandora64s1_NewHavenCT_20231004_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231005T205118.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231004_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231004 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231004T113244.3Z 8677.481068 255 1 48.61 2 83.14 101.97 34.81 257.34 0.00 1 0.00 1 0 33 7.801e-01 5.976e-02 1.995e-01 1.457e-02 7.409403e-01 8.462329e-03 1.364277e-02 -6.000000e+00 4.709967e-01 227.14 -2.00 3.52 -2.00 321.31 0.00e+00 8.044450e-02 3.246536e-03 4.476122e-03 -6.000000e+00 2.156696e-02 285.37 -2.00 20.00 -2.00 320.80 0.00e+00 7.654 0.008 302.00 328.00 3 1.4820e+00 2.7320e-02 9.3989e-02 -6.0000e+00 1.1666e+00 1.8182e+00 3.0292e-02 1.1095e-01 -6.0000e+00 1.2607e+00 -2.0502e+00 1.5781e-02 2.1459e-02 -6.0000e+00 7.5299e-01 8.2352e-01 9.0916e-03 5.4878e-02 -6.0000e+00 3.2317e-01 1.6861e-05 -7.3816e-03 3.9490e-04 1.0962e-03 -6.0000e+00 2.3251e-02 -1.3500e-03 -1.0357e-04 12 8 8 10 0 0 57.35 21.65 0.17 -0.00135 -0.05682 19 5 1 5 0 2558.080 26.11 20.00 21.65 24.33 38.3 1015.39 155668 206697 236033 287723 -46350 215818 75314 35346 52181 21707 -37570 900000 20032 140534 127290 149020 152895 242393 144398 276355 226866 900000 900000 231103 1576 42686 -45067 -12099 144875 900000 58694 68866 130836 99991 129732 52252 68324 62542 68226 8212 80830 61782 85756 -14336 44761 66712 139070 58265 89083 -8402 99845 48751 70604 17028 69859 11264 38322 -11427 32592 -4863 26567 16273 53761 29828 62404 14885 32547 30514 15332 6488 22417 1899 215 -7919 1789 -8411 28568 -16690 -5848 3151 -5479 -5582 -895 -5228 -5583 -5528 -4964 -866 1379 6392 -10277 -1612 -22050 -16953 -16252 -4337 -11044 1490 3472 5513 478 1140 -10891 -4405 -8460 -6739 -9944 6309 -4998 1309 1266 680 -1984 2259 -2983 -2043 -479 1640 58 5770 2930 6034 3296 8280 5069 2467 -1876 4672 1048 643 1730 184 316 -517 361 -528 -1059 -1479 956 -669 -1705 -2122 13816 13285 11643 7717 -21450 6129 5235 2378 2182 925 -2359 900000 1362 4878 7230 8700 9770 7289 10360 5540 6443 900000 900000 3282 114 1783 -4017 -830 2662 900000 4538 5976 6915 7178 6285 4617 4851 4490 4467 959 4726 4192 5301 -2379 4767 6315 7318 6987 8152 -1991 8901 7141 8800 3385 7936 1945 4837 -2075 3934 -861 4087 3077 8610 6554 10447 3905 7078 6727 4137 2095 6350 650 70 -2533 464 -2181 5274 -4952 -1866 1128 -2357 -2695 -439 -2754 -3092 -3187 -2954 -505 785 3340 -5903 -798 -13010 -10111 -11228 -3211 -9947 1385 3461 5353 456 1012 -9859 -3725 -7929 -6193 -10180 6033 -6016 1683 1812 1032 -3098 3290 -4407 -2944 -706 2504 91 9220 4706 8985 4869 11226 6842 3355 -2626 6648 1786 1191 3508 406 736 -1228 903 -1380 -2803 -3982 2483 -1679 -4053 -4978 SS 20231004T114318.1Z 8677.488404 258 1 48.46 2 81.21 103.78 36.70 259.58 0.00 1 0.00 1 0 25 3.518e-01 2.522e-02 1.225e-01 4.193e-03 6.639791e-01 2.371978e-03 9.262107e-03 -6.000000e+00 2.121902e-01 227.14 -2.00 3.52 -2.00 321.31 0.00e+00 2.052323e-02 1.169708e-03 6.781313e-03 -6.000000e+00 9.485608e-03 285.37 -2.00 20.00 -2.00 320.76 0.00e+00 6.183 0.004 302.00 328.00 3 1.6157e+00 8.2321e-03 7.4077e-02 -6.0000e+00 5.2574e-01 4.1708e-01 1.0486e-02 4.0634e-02 -6.0000e+00 5.6844e-01 -6.0468e-01 9.0295e-03 2.9031e-02 -6.0000e+00 3.3933e-01 2.5724e-01 4.3512e-03 1.6169e-02 -6.0000e+00 1.4479e-01 1.0936e-04 -2.1315e-03 1.2556e-04 3.2952e-04 -6.0000e+00 1.0463e-02 -2.4794e-03 -4.5553e-05 12 8 8 10 0 0 87.74 21.66 0.18 -0.00248 -0.01850 72 17 1 5 0 672.920 26.11 20.00 21.66 24.77 38.2 1017.53 -65062 -23688 6101 -70021 -250812 -88129 -46564 -108973 -86 -48914 -129911 -82569 -40988 -53974 33961 18638 22153 57255 21872 51517 11687 58679 92121 8330 -8411 7684 -18992 -6586 29153 -36359 23165 18961 49332 24147 29581 15106 24838 20093 31289 17019 28612 19439 28340 9555 25415 31905 39987 25098 26262 9414 32192 17859 21328 16699 21410 12200 8638 5975 13004 7500 12957 8339 14352 16150 18208 8912 9242 8312 7578 5875 4562 2832 10 210 -3082 -3584 2132 -5926 -1597 1574 -2677 -1554 -3503 -3680 -2708 -2840 -1451 -1014 114 115 -2559 -824 -4466 -4305 -3320 -1264 -2245 404 305 148 -811 -2005 -4177 -1729 -1834 -2846 -1661 -584 -1314 374 325 -95 -342 477 -224 -599 534 670 974 1732 1045 992 2112 1890 2281 1837 -287 1107 1483 702 987 -69 -392 -368 297 -347 -585 -235 612 -713 -654 -1469 -1016 -273 54 -1223 -20114 -1539 -519 -2268 -1 -564 -3477 -1688 -746 -1485 492 374 478 958 545 977 321 960 1168 217 -253 197 -635 -196 650 -1838 801 796 1742 1113 1209 730 1191 1150 1849 1195 2095 1517 2153 908 2147 2641 3174 2437 2648 1209 3652 2549 3146 2737 3392 2137 1563 1085 2171 1359 2401 1830 3364 4132 4671 2265 2383 2248 2309 2045 1703 1092 4 75 -1028 -1101 609 -1951 -589 667 -1362 -882 -2176 -2249 -1758 -1946 -1024 -724 80 77 -1645 -536 -2978 -2867 -2516 -1093 -2262 450 334 159 -877 -1988 -4003 -1686 -1917 -3148 -1956 -689 -1738 544 516 -147 -525 747 -338 -893 815 1070 1539 2769 1756 1607 3295 2841 3315 2614 -414 1720 2440 1292 1975 -147 -838 -837 715 -870 -1492 -607 1539 -1726 -1501 -3235 SS 20231004T115444.3Z 8677.496347 263 1 49.28 2 79.14 105.76 38.76 261.86 0.00 1 0.00 1 0 25 4.022e-01 2.632e-02 1.824e-01 7.986e-03 5.633195e-01 4.384899e-03 7.233449e-03 -6.000000e+00 2.419655e-01 227.14 -2.00 3.52 -2.00 320.57 0.00e+00 7.349822e-03 1.648973e-03 3.733185e-03 -6.000000e+00 1.084952e-02 285.37 -2.00 20.00 -2.00 319.91 0.00e+00 5.109 0.002 302.00 328.00 3 3.8451e+00 1.3500e-02 6.0516e-02 -6.0000e+00 5.9945e-01 3.4316e-01 1.6448e-02 3.4376e-02 -6.0000e+00 6.4870e-01 -3.7554e-01 1.2871e-02 1.8025e-02 -6.0000e+00 3.8721e-01 1.4584e-01 6.4458e-03 5.7903e-03 -6.0000e+00 1.6479e-01 3.5835e-05 -3.7434e-03 2.4346e-04 1.1642e-04 -6.0000e+00 1.1968e-02 3.8819e-03 -4.6803e-04 12 9 9 12 41 1 99.93 21.65 -0.13 0.00388 -0.02425 12 3 1 5 0 3790.000 26.11 20.00 21.65 25.32 38.3 1020.13 -146679 -57713 -96574 -38673 -103956 -23275 -56691 216342 -78209 156453 -98395 135803 -62490 -36674 -44116 3908 -27734 41970 -3065 55884 11898 161664 52471 83937 -14199 -10853 -34653 -4884 27 -59027 7929 17805 12033 11086 3045 43318 8560 -8167 10203 -1832 18544 16413 17279 -18008 7932 -1236 26711 5676 19800 -19942 21208 22235 13399 519 14623 1220 9128 2025 13050 215 12730 8059 12326 7188 15244 -3401 1250 1754 10085 1984 11404 -1377 423 -3099 1478 -7049 10143 -8011 -3015 2488 -1891 -5245 -2907 -3904 -1536 -661 -480 1481 380 1438 -2205 961 -7374 -3293 -1576 -51 -2604 1324 -531 -104 -2614 -2058 -5821 -415 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