File name: Pandora64s1_NewHavenCT_20240319_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240320T050403.6Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240319_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: 20240319 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 20240319T112604.6Z 8844.476442 179 1 48.78 2 85.14 94.63 110.25 338.32 0.00 1 0.00 1 0 25 9.057e-01 1.118e-01 2.750e-01 3.569e-02 1.310043e+00 2.260123e-02 1.993268e-02 -6.000000e+00 5.445846e-01 226.50 -2.00 3.52 -2.00 320.40 0.00e+00 7.004181e-02 4.909959e-03 5.224681e-03 -6.000000e+00 2.361985e-02 277.31 -2.00 20.00 -2.00 320.07 0.00e+00 10.034 0.019 302.00 328.00 3 -1.1744e+00 6.5701e-02 1.5603e-01 -6.0000e+00 1.3520e+00 4.2178e+00 7.5362e-02 1.7726e-01 -6.0000e+00 1.4659e+00 -3.4784e+00 3.7653e-02 3.1801e-02 -6.0000e+00 8.6987e-01 1.0011e+00 2.0126e-02 5.3837e-02 -6.0000e+00 3.6802e-01 6.1594e-06 -2.4345e-03 7.5816e-04 8.3766e-04 -6.0000e+00 2.6930e-02 2.7567e-03 -2.2008e-04 12 9 8 11 8 0 28.94 21.60 0.69 0.00276 -0.01554 22 5 1 5 0 2217.180 26.11 20.01 21.60 7.60 37.2 952.10 260713 324718 238346 264809 -27589 150451 97446 40563 50677 74629 -2729 34646 96720 94540 167321 197616 233831 211616 182889 190230 190449 183684 250930 74023 31598 -50528 -4683 -54551 72199 -72342 74878 83813 121778 79424 100747 64076 144603 16575 106037 13017 107123 34662 28730 -62006 61789 20073 99006 74687 60030 -46717 64912 -7418 900000 6426 146394 -3853 33026 -9676 118199 -19855 -6516 29605 57260 108825 106058 20224 24952 115335 80736 49614 60720 27568 -12547 -9275 -43642 -25834 329166 4923 -12973 50996 -1917 -52831 25363 1752 -9436 1973 24845 7924 16847 10065 -19476 8316 -35640 -14261 -9149 38902 1502 13088 18913 8852 1674 6861 -22807 4296 -11512 -2172 -9302 31606 1741 7260 13062 -2288 720 4613 -1745 -8705 2299 -2974 -66 2558 -3914 8113 -391 8618 11011 -7599 -6444 5120 2272 -865 2283 -5630 -898 -1388 119 -978 1031 -1205 3175 1567 -493 -336 31747 21654 34552 22265 -27541 17884 12149 5763 4555 4485 -316 3917 9815 15350 19581 20626 18489 21418 22560 18652 14457 11038 8730 6556 3098 -9269 -504 -10352 4796 -26847 9947 12194 13096 11807 9878 7904 7318 2831 7043 2100 6438 4276 3907 -21377 6449 3365 8142 8504 8354 -18285 9649 -2323 900000 1667 8334 -865 4492 -1775 6169 -3768 -1175 4307 7425 9638 10063 4542 5524 11637 11236 9886 10563 6191 -3651 -2200 -12285 -5475 11452 934 -3734 9516 -703 -35926 8183 720 -4387 818 8173 3008 5595 3311 -7946 2499 -17473 -6585 -4977 16242 1102 9976 14417 7168 1297 4232 -16519 2337 -7574 -1347 -6767 17294 1525 7164 12838 -2826 889 5470 -2176 -11711 2899 -4121 -91 3315 -4982 9212 -425 9023 11110 -8438 -7418 6279 3551 -1661 4898 -14512 -2421 -4068 366 -3106 3221 -3849 9363 4321 -1267 -796 SS 20240319T113744.8Z 8844.484546 182 1 48.14 2 82.95 96.58 111.01 340.88 0.00 1 0.00 1 0 17 4.719e-01 2.770e-02 1.630e-01 6.386e-03 1.232300e+00 3.896779e-03 1.364468e-02 -6.000000e+00 2.836643e-01 226.50 -2.00 3.52 -2.00 322.42 0.00e+00 2.907495e-02 2.127539e-03 1.858742e-02 -6.000000e+00 1.230028e-02 277.31 -2.00 20.00 -2.00 322.03 0.00e+00 7.492 0.008 302.00 328.00 3 -6.0282e-02 1.4602e-02 1.6642e-01 -6.0000e+00 7.0374e-01 2.0586e+00 1.7499e-02 1.8943e-01 -6.0000e+00 7.6250e-01 -2.6247e+00 1.3218e-02 4.1621e-02 -6.0000e+00 4.5317e-01 1.0560e+00 6.7499e-03 3.4401e-02 -6.0000e+00 1.9201e-01 6.5482e-05 -3.6292e-03 1.5083e-04 2.2560e-04 -6.0000e+00 1.4024e-02 -3.7022e-04 -1.1527e-04 12 8 8 10 0 0 19.33 21.61 0.25 -0.00037 -0.02764 103 25 1 5 0 467.360 26.00 20.00 21.61 8.02 37.2 954.74 127289 176102 132000 68394 -120157 61695 -40041 3958 -21109 -14639 -73830 981 -24846 39522 53238 136256 79948 209021 37688 106471 55035 87263 62850 61930 -2859 7064 -27666 -2508 19427 -20917 15399 51778 51632 59400 41979 18658 26206 40846 50367 47745 64785 58580 72099 24971 50099 28440 86343 45526 61534 5499 66261 65894 113488 42191 69024 33160 31244 23240 61966 8166 42976 17655 42490 32069 50745 22562 31955 32919 38685 21990 33957 21158 23059 8968 9744 3684 19087 1546 6536 7682 5369 -1354 6848 4207 4140 799 3684 3004 5454 2363 -3061 -4327 -7779 -8146 -5116 -2291 -4105 -484 222 -86 -792 -2803 -6947 -3230 -4526 -2994 -4828 -1538 -4520 -2531 -2576 -2106 -2354 -1291 -2299 -1491 -900 494 1378 3342 2142 3795 2930 4306 3455 3529 -967 837 1566 958 1122 445 -181 -99 625 152 -533 605 761 -564 -1053 -3295 2306 1994 2167 1704 -13904 1013 -1473 78 -466 -273 -2466 19 -900 1029 1537 2206 2218 1822 1579 2254 1679 1630 1331 1157 -89 180 -930 -64 435 -886 604 1677 1865 1923 1412 744 979 1399 1694 1754 2057 2006 2200 1213 1903 1381 2473 2126 2644 411 3301 3570 4028 3179 3911 2602 2374 1766 2971 656 2569 1550 3413 3014 4645 2542 3491 3801 4708 3498 4940 3425 3355 1325 1241 453 2064 228 1140 1644 1395 -435 2194 1446 1366 281 1286 1054 1988 841 -1085 -1538 -2769 -3373 -2525 -1353 -2974 -397 196 -75 -639 -2000 -4618 -2070 -3100 -2111 -3795 -1319 -4353 -2849 -3366 -2991 -3491 -1906 -3389 -2179 -1360 769 2200 5131 3113 5043 3773 5299 4210 4264 -1251 1233 2790 1877 2511 1105 -459 -270 1809 454 -1593 1780 2150 -1479 -2701 -7901 SS 20240319T114811.8Z 8844.491803 185 1 48.39 2 81.01 98.33 111.61 343.22 0.00 1 0.00 1 0 17 6.977e-01 2.179e-02 8.915e-02 2.403e-03 1.080429e+00 1.422682e-03 1.185926e-02 -6.000000e+00 4.195625e-01 226.50 -2.00 3.52 -2.00 322.01 0.00e+00 1.743292e-02 7.975229e-04 3.025433e-03 -6.000000e+00 1.818945e-02 277.31 -2.00 20.00 -2.00 321.61 0.00e+00 6.063 0.004 302.00 328.00 3 1.6209e-01 5.2515e-03 9.1199e-02 -6.0000e+00 1.0409e+00 8.6491e-01 7.7157e-03 8.0151e-02 -6.0000e+00 1.1277e+00 -1.1325e+00 8.0658e-03 3.3762e-02 -6.0000e+00 6.7021e-01 4.6391e-01 3.6653e-03 2.1917e-02 -6.0000e+00 2.8407e-01 2.9878e-04 -1.9717e-03 5.9260e-05 2.8231e-04 -6.0000e+00 2.0739e-02 -1.6852e-03 -8.4883e-05 12 8 8 10 0 0 4.79 21.66 0.15 -0.00169 -0.01650 239 58 1 5 0 202.460 26.11 19.98 21.66 8.59 37.1 957.31 -210800 -181238 -187357 -184165 -332873 -186460 -216779 -220351 -225412 -188959 -179823 -174582 -148732 -115218 -101181 -57920 -56598 -35561 -55665 -20062 -55566 -46659 -46168 -57556 -46133 -35276 -81272 -77229 -65100 -64765 -23064 16707 9657 19613 10679 -809 2246 7003 20728 20448 23225 31328 38833 13415 34355 34116 37236 31856 33808 23988 36932 33502 48054 34982 41892 27645 26484 20163 23472 19480 24038 19800 27084 27798 28454 18521 19995 19396 18448 15941 14263 13263 10322 8234 5167 2680 7153 -78 2393 4487 3616 22 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