File name: Pandora55s1_QueensNY_20240812_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240813T052330.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240812_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240812 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240812T104736.4Z 8990.449727 61 1 50.54 2 82.79 76.73 159.59 12.83 0.00 1 0.00 1 0 25 6.830e-01 3.553e-02 2.618e-01 7.702e-03 9.175158e-01 4.805703e-03 1.024981e-02 -6.000000e+00 4.320158e-01 231.87 -2.00 3.51 -2.00 322.08 0.00e+00 1.727423e-03 2.946733e-03 7.073350e-03 -6.000000e+00 2.124058e-02 290.24 -2.00 20.00 -2.00 321.57 0.00e+00 7.332 0.007 302.00 328.00 3 8.8104e-01 1.9785e-02 1.0151e-01 -6.0000e+00 1.0851e+00 1.1284e+00 2.5936e-02 8.6071e-02 -6.0000e+00 1.1789e+00 -1.5710e+00 1.9295e-02 2.7564e-02 -6.0000e+00 6.9402e-01 6.3659e-01 8.8598e-03 1.3961e-02 -6.0000e+00 2.9366e-01 5.5185e-05 -2.1543e-03 2.2475e-04 1.1794e-04 -6.0000e+00 2.2704e-02 1.6000e-02 0.0000e+00 12 9 9 12 4 4 -33.07 10.80 0.46 0.01600 -0.00019 40 8 1 5 0 1263.380 26.21 19.98 10.80 26.34 38.0 1063.35 -78191 900000 -102783 900000 131481 67369 900000 900000 128064 -76900 -80221 -97281 13682 900000 201417 -39452 77965 900000 900000 -17121 900000 900000 -78679 68724 105063 900000 334166 -34195 -79515 62498 900000 115919 44727 98913 900000 89963 -1795 900000 900000 46731 900000 25648 115560 68055 900000 8886 900000 178530 900000 87889 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-2010 966 1586 -3128 682 826 -1262 -262 -6115 -2887 -4293 -1449 -3207 -1004 -425 3468 1459 -968 -2891 -4863 -1658 1724 1019 -7938 -644 -2408 -3148 -1783 460 3996 -263 -99 -4583 -611 4914 10490 1318 2638 730 2937 -1044 -1858 2566 3953 4015 3541 2968 -1874 2419 29 1062 -4181 -1512 -2809 -1060 -3338 SS 20240812T105854.5Z 8990.457575 64 1 50.32 2 80.70 78.51 159.05 19.82 0.00 1 0.00 1 0 25 6.331e-01 1.631e-02 1.615e-01 2.692e-03 7.945034e-01 1.550987e-03 9.023909e-03 -6.000000e+00 3.882396e-01 231.87 -2.00 3.51 -2.00 321.37 0.00e+00 6.378603e-03 8.382388e-04 1.519532e-03 -6.000000e+00 1.824359e-02 290.24 -2.00 20.00 -2.00 320.77 0.00e+00 5.877 0.004 302.00 328.00 3 7.3062e-01 5.6733e-03 7.2629e-02 -6.0000e+00 9.7319e-01 2.3301e-01 8.0199e-03 4.3343e-02 -6.0000e+00 1.0540e+00 -2.9348e-01 7.6929e-03 2.4206e-02 -6.0000e+00 6.2574e-01 1.1453e-01 3.5583e-03 1.0432e-02 -6.0000e+00 2.6192e-01 3.1808e-04 -8.7425e-04 7.5517e-05 1.3742e-04 -6.0000e+00 1.9521e-02 1.6853e-02 0.0000e+00 12 9 9 12 12 4 71.46 10.77 0.29 0.01685 0.01028 112 21 1 5 0 449.170 26.21 20.02 10.77 27.35 37.8 1068.57 -275729 900000 -293962 -85172 -243539 -123011 900000 105279 -212407 -215213 -177112 -209405 -91726 900000 29039 -133134 14751 900000 900000 -100949 42882 -25849 -98824 -33056 -65177 900000 -63170 -29038 -98234 -229 -13712 5172 -29616 -466 129913 -17355 -34382 15982 41533 -11180 28053 -15365 14645 2582 46099 -10883 30527 14233 22761 17004 9302 5999 20336 24122 9561 19709 5740 15842 5350 9220 14516 7006 -404 9907 2531 11519 5089 2931 8273 2274 4252 3595 219 5976 95 3895 4250 1530 -1786 -915 1717 -1162 -1358 -2316 -1627 -2894 -1470 -2251 37 -709 191 -87 1159 -644 246 -1556 -1014 -1201 -1055 -858 -1050 700 572 55 -2275 -769 -2209 -478 294 -39 -1487 -157 32 -152 563 849 1644 518 187 -1207 360 576 1051 289 363 289 1360 1223 -266 1144 569 1104 290 385 -574 -168 61 -542 -649 -411 -377 -31 3 -4745 900000 -6938 -258 -3305 -535 900000 276 -2947 -3296 -2137 -4273 -804 900000 130 -3367 104 900000 900000 -2654 291 -348 -2807 -546 -1549 900000 -1525 -514 -3544 -4 -321 122 -1085 -14 1079 -604 -1579 551 1349 -681 1320 -1155 879 178 2188 -901 1802 1036 1653 1433 939 699 2281 2824 1347 2652 891 2220 810 1350 2135 1225 -86 2134 615 2588 1234 770 2312 753 1494 1305 80 1958 30 1103 1161 452 -619 -370 782 -610 -776 -1414 -1043 -1975 -1033 -1624 26 -486 124 -54 705 -421 178 -1303 -965 -1270 -1193 -974 -1139 693 531 51 -2245 -791 -2403 -546 363 -53 -2218 -244 50 -236 850 1249 2425 796 299 -1988 583 902 1596 431 527 410 1887 1761 -422 1978 1069 2180 603 835 -1311 -396 147 -1317 -1576 -972 -859 -68 6 SS 20240812T110913.1Z 8990.464735 69 1 50.37 2 78.78 80.13 158.35 25.88 0.00 1 0.00 1 0 25 3.792e-01 8.014e-03 6.677e-02 1.435e-03 6.877889e-01 7.924726e-04 7.784352e-03 -6.000000e+00 2.286798e-01 231.87 -2.00 3.51 -2.00 320.72 0.00e+00 3.672270e-03 3.490645e-04 4.405915e-04 -6.000000e+00 1.044299e-02 290.24 -2.00 20.00 -2.00 320.03 0.00e+00 4.959 0.002 302.00 328.00 3 6.1754e-01 2.5786e-03 6.1699e-02 -6.0000e+00 5.7182e-01 7.7264e-02 3.4108e-03 3.7013e-02 -6.0000e+00 6.1700e-01 -5.9140e-02 3.2022e-03 1.9256e-02 -6.0000e+00 3.6828e-01 1.2149e-02 1.5612e-03 7.8323e-03 -6.0000e+00 1.5624e-01 9.5831e-04 -1.8797e-04 4.0592e-05 8.2606e-05 -6.0000e+00 1.1409e-02 1.4763e-02 0.0000e+00 12 9 1 12 4 4 -19.23 10.71 0.23 0.01476 0.01335 205 39 1 5 0 245.650 26.21 20.00 10.71 28.72 38.1 1075.93 -171269 900000 -167617 -91145 -136957 -145954 -11756 -84010 -125563 -133869 -125705 -94088 -71684 41491 -35247 -49305 -34404 23193 16818 -43866 -10720 -22712 -38203 -19395 -21771 40863 -21035 -26361 -38500 -12474 -6561 -5996 -11739 -2530 9825 -8466 -13898 523 -164 -3992 317 -6795 -486 -1617 8150 -3164 5172 2384 6641 1544 2439 -1107 5429 4672 892 3720 833 2971 -222 1418 3477 2128 -469 2345 190 3699 1413 1852 2007 -18 1039 407 -579 290 132 268 1543 888 -731 -646 139 -1360 -1286 -1514 -1143 -1320 -716 -819 -626 -206 535 763 1705 898 991 135 705 -348 -344 -481 -478 74 898 -324 -1589 -672 -1065 -119 282 -107 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