File name: Pandora64s1_NewHavenCT_20231204_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231205T045038.5Z 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_20231204_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: 20231204 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 20231204T123611.5Z 8738.525133 293 1 48.94 2 85.23 125.37 39.59 233.84 0.00 1 0.00 1 0 41 6.511e-01 7.116e-02 2.762e-01 2.748e-02 9.935177e-01 1.613583e-02 1.150055e-02 -6.000000e+00 3.863532e-01 222.89 -2.00 3.52 -2.00 321.45 0.00e+00 3.929609e-03 4.802566e-03 5.790756e-04 -6.000000e+00 1.708264e-02 278.12 -2.00 20.00 -2.00 320.84 0.00e+00 10.170 0.019 302.00 328.00 3 -4.6060e-01 4.8150e-02 1.1391e-01 -6.0000e+00 9.5012e-01 2.4174e+00 5.5792e-02 5.0605e-02 -6.0000e+00 1.0316e+00 -2.1791e+00 3.3209e-02 2.4856e-02 -6.0000e+00 6.1528e-01 6.9693e-01 1.7709e-02 8.2937e-03 -6.0000e+00 2.6320e-01 8.4395e-06 -2.8222e-03 7.2005e-04 1.3180e-04 -6.0000e+00 1.9338e-02 -6.1071e-04 -2.1672e-04 12 9 8 11 8 0 56.85 21.43 0.32 -0.00061 -0.02182 22 5 1 5 0 2224.270 25.90 19.99 21.43 12.99 37.4 966.08 53772 127311 25088 25781 26601 55196 -39665 -58125 16817 38191 -43899 126271 -12611 8940 48915 89534 37392 202014 -7245 112921 -735 900000 64216 191093 32096 122543 -37983 153041 -21853 -86659 -37706 172495 19122 70862 24894 99405 18060 57015 36014 23926 83775 31103 37971 -6293 2956 58731 33956 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-2342 7574 2082 10121 3782 -1268 3711 -8346 -3548 718 8034 1719 2868 12232 -4068 -9491 -2218 -9846 1656 -10174 -1451 -5705 16986 -6364 11961 5060 2818 2768 4281 -6663 -6335 -1894 -144 -10057 7103 -6368 6509 -1239 10676 4719 1287 -11086 10492 -57 2666 -8204 -3923 -8561 3587 7565 2994 275 2804 9259 -1809 -8736 -3225 SS 20231204T124745.9Z 8738.533170 296 1 48.17 2 83.48 127.41 41.38 237.09 0.00 1 0.00 1 0 25 6.028e-01 3.588e-02 2.163e-01 8.177e-03 8.828571e-01 4.719126e-03 1.086229e-02 -6.000000e+00 3.583692e-01 222.89 -2.00 3.52 -2.00 321.95 0.00e+00 4.586656e-02 2.431623e-03 5.718790e-03 -6.000000e+00 1.608373e-02 278.12 -2.00 20.00 -2.00 321.51 0.00e+00 7.990 0.009 302.00 328.00 3 2.8837e-01 1.6799e-02 1.1636e-01 -6.0000e+00 8.8372e-01 1.5054e+00 1.9281e-02 1.2186e-01 -6.0000e+00 9.6031e-01 -1.8772e+00 1.3683e-02 2.3173e-02 -6.0000e+00 5.7056e-01 7.8099e-01 7.0217e-03 4.1744e-02 -6.0000e+00 2.4353e-01 4.4294e-05 -4.8406e-03 2.2038e-04 5.5395e-04 -6.0000e+00 1.7930e-02 -2.3762e-03 -9.7719e-05 12 8 8 10 0 0 53.66 21.43 0.24 -0.00238 -0.03875 68 16 1 5 0 708.340 25.90 20.01 21.43 13.76 37.3 968.93 135808 99133 155270 89739 -111719 36004 85915 -73305 900000 10988 59452 -7766 74558 11119 165698 90044 145296 104817 144735 98856 163298 65459 272685 37325 69641 -4402 80729 -2293 131135 -42532 142219 68047 121610 51608 120446 38566 139981 46852 58441 39058 61848 51010 69273 28092 77144 48728 87464 51840 70276 40569 72746 35866 76198 53992 54950 39935 15163 23489 17898 25161 12093 26970 24061 47834 48807 26774 17336 35542 21324 26317 11887 16385 7941 10080 -4873 5489 5376 3452 -6882 10965 -2380 -5992 -2653 -1249 -2929 -982 -3008 329 -345 3010 -4987 -1974 -11873 -10507 -10071 -3282 -4423 144 1494 1137 -134 -2702 -5602 -3041 -3952 -6271 -3666 -1037 -3210 -2567 -1517 -2237 -938 -1634 -1406 -1891 453 399 2453 2858 2903 3086 4405 3375 4655 2987 -437 194 2453 993 2271 149 287 -1027 880 -475 11 -201 586 -680 -678 -3474 2756 3161 2813 2666 -17886 1122 1245 -4144 900000 191 664 -191 1189 483 2246 2871 2948 3418 3147 3224 2734 2230 2174 1163 1443 -156 1287 -78 1464 -3082 2381 2614 3393 2618 2976 1845 2678 2139 2499 2123 2734 2588 3113 1995 3522 3143 4057 3682 4380 3616 5114 3899 5743 5204 5057 4052 1868 2502 1946 2607 1551 3420 3644 6517 6933 4696 3417 6027 4559 5437 2945 3853 1904 2143 -1071 1078 1052 755 -1852 3016 -873 -2587 -1191 -577 -1452 -498 -1613 173 -181 1460 -2451 -905 -6034 -5800 -6563 -2226 -3604 131 1445 1089 -121 -2219 -4311 -2303 -3216 -5464 -3372 -1025 -3699 -3386 -2228 -3266 -1370 -2545 -2121 -2836 689 593 3751 4397 4630 4662 6351 4754 6302 4053 -613 301 4054 1904 4798 348 712 -2568 2298 -1296 30 -553 1566 -1727 -1716 -8432 SS 20231204T125800.8Z 8738.540287 299 1 36.84 2 81.97 129.26 43.02 239.80 0.00 1 0.00 1 0 25 4.837e-01 2.102e-02 1.182e-01 3.253e-03 7.860917e-01 1.843401e-03 9.390453e-03 -6.000000e+00 2.870295e-01 222.89 -2.00 3.52 -2.00 321.48 0.00e+00 1.641183e-02 9.301877e-04 2.656179e-03 -6.000000e+00 1.265257e-02 278.12 -2.00 20.00 -2.00 321.02 0.00e+00 6.700 0.005 302.00 328.00 3 3.2580e-01 6.3464e-03 7.8735e-02 -6.0000e+00 7.0612e-01 4.7978e-01 8.6074e-03 4.3527e-02 -6.0000e+00 7.6666e-01 -6.0832e-01 8.5794e-03 2.8742e-02 -6.0000e+00 4.5714e-01 2.5389e-01 4.0526e-03 1.9208e-02 -6.0000e+00 1.9546e-01 2.1141e-04 -1.6937e-03 9.1237e-05 2.8090e-04 -6.0000e+00 1.4363e-02 -3.7964e-03 -6.6605e-05 12 9 9 12 1 1 95.20 21.45 0.20 -0.00380 -0.01652 105 33 1 5 0 347.490 25.90 19.99 21.45 13.75 37.2 968.13 -168876 -69739 -127393 -92701 -295315 -73016 -160859 -180432 -131274 -114149 -140793 -105785 -104909 -85158 -8069 -17442 14956 39101 23533 -8675 -4063 7486 45108 -20584 19955 -20723 -7579 -49907 12146 -46863 15720 5892 42044 9542 36187 -6667 30878 7791 31433 8319 31954 14924 26348 9218 28529 29015 29972 20347 24256 14402 30909 13796 32320 16850 20356 10006 12350 8035 12334 8002 12366 7393 14604 15105 13015 9215 8889 7164 7221 7546 4903 3950 607 2119 -1956 -1738 -629 -2820 -1442 1698 -1094 -1776 -2019 -2405 -1665 -1155 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