File name: Pandora55s1_QueensNY_20240823_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240824T051236.5Z 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_20240823_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: 20240823 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 20240823T105758.2Z 9001.456924 216 1 50.66 2 82.70 81.50 49.66 243.09 0.00 1 0.00 1 0 25 7.544e-01 4.257e-02 2.526e-01 9.183e-03 9.248063e-01 5.830588e-03 1.061295e-02 -6.000000e+00 4.929283e-01 231.08 -2.00 3.51 -2.00 322.07 0.00e+00 -6.070572e-03 3.326243e-03 8.059988e-03 -6.000000e+00 2.506658e-02 289.66 -2.00 20.00 -2.00 321.55 0.00e+00 7.260 0.007 302.00 328.00 3 1.2491e+00 2.3058e-02 9.9291e-02 -6.0000e+00 1.2367e+00 1.2982e+00 2.9947e-02 7.9966e-02 -6.0000e+00 1.3469e+00 -1.7576e+00 2.0813e-02 3.1860e-02 -6.0000e+00 7.9419e-01 6.9261e-01 9.6181e-03 7.6162e-03 -6.0000e+00 3.3324e-01 3.9515e-05 -1.9474e-03 2.7200e-04 1.3653e-04 -6.0000e+00 2.5542e-02 1.3503e-02 0.0000e+00 12 9 8 11 4 0 10.72 22.56 0.48 0.01350 -0.00113 28 5 1 5 0 1808.790 26.21 19.99 22.56 24.58 37.8 1050.32 -16682 900000 -51387 900000 900000 -19136 900000 900000 900000 -92472 60154 -55135 24343 900000 900000 -3089 900000 900000 900000 116822 228112 900000 -73643 900000 38023 900000 40682 17746 -36980 136514 900000 52345 175679 86064 900000 -5839 29318 900000 900000 47510 900000 60873 74227 161498 900000 39681 900000 900000 261653 119499 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3471 -6670 655 -6225 2846 1278 -3037 2742 894 1662 -460 -3362 -5251 -1153 -3063 -3068 -4908 312 5235 4080 -1099 -4150 -2087 -3633 6374 -1876 -9358 -957 -2623 -3422 -1678 1210 5510 1134 -3031 -6282 239 6879 11353 1417 4542 -1578 1396 -912 -2498 521 6675 3083 4340 1213 -1057 1931 2535 1339 -4454 -3043 -3522 1315 -4407 SS 20240823T110917.1Z 9001.464781 219 1 50.72 2 80.58 83.31 51.51 245.68 0.00 1 0.00 1 0 25 6.410e-01 1.823e-02 1.510e-01 3.288e-03 7.974150e-01 1.902032e-03 9.013396e-03 -6.000000e+00 3.946393e-01 231.08 -2.00 3.51 -2.00 321.38 0.00e+00 4.980895e-03 1.029547e-03 1.641760e-03 -6.000000e+00 1.843320e-02 289.66 -2.00 20.00 -2.00 320.79 0.00e+00 5.811 0.004 302.00 328.00 3 1.1761e+00 6.9476e-03 7.2181e-02 -6.0000e+00 9.8941e-01 2.5568e-01 9.8560e-03 4.3650e-02 -6.0000e+00 1.0744e+00 -3.2777e-01 9.4166e-03 2.4137e-02 -6.0000e+00 6.3560e-01 1.2852e-01 4.3359e-03 9.4147e-03 -6.0000e+00 2.6485e-01 2.1613e-04 -7.3969e-04 9.2557e-05 1.2788e-04 -6.0000e+00 1.9841e-02 1.3380e-02 0.0000e+00 12 9 8 11 12 0 -20.07 22.57 0.32 0.01338 0.00782 75 14 1 5 0 676.140 26.21 20.00 22.57 25.69 37.6 1056.18 -235132 900000 -250615 -171337 -123603 -249532 900000 -40594 -191061 -234310 -219009 -184100 -206376 900000 -107467 -108062 47674 900000 900000 -106491 33860 -1299 -98611 -67690 -4905 900000 -18266 -79372 -75141 -22747 23246 -20287 -20751 13223 900000 3038 -41155 49330 37585 -110 22319 -12997 12398 3326 67185 -8054 47117 19348 44409 1180 15256 -6769 38450 25757 16815 25997 13374 21990 1475 10031 13345 11991 -3883 13709 -3372 17872 750 4869 6198 2642 5786 4590 1810 6994 3811 967 10778 -478 -2155 -4331 2895 -1322 -701 -2469 -2223 -2700 -1911 -2046 -1568 -75 -1225 852 1239 -129 762 -1482 -379 -1315 -568 -1369 -472 -531 1390 -659 -1782 -1882 -2003 127 206 179 -1922 128 -771 -45 82 1115 1681 508 18 -1161 254 1049 2109 -406 972 -189 1629 1050 28 965 377 1012 261 701 -558 19 -92 -404 -726 -385 -326 -169 -166 -3029 900000 -4318 -1318 -572 -4024 900000 -130 -2377 -4738 -4319 -3219 -5812 900000 -1919 -2290 257 900000 900000 -3104 262 -14 -2933 -1635 -69 900000 -304 -2367 -2277 -486 394 -622 -717 345 900000 89 -2057 1270 1295 -6 1134 -980 773 231 2645 -657 2402 1351 2640 115 1464 -889 3661 2981 2231 3310 1943 2935 232 1454 1973 1997 -847 2822 -857 3773 188 1250 1755 863 1993 1638 652 2258 1168 280 2749 -142 -739 -1781 1290 -687 -394 -1497 -1422 -1825 -1334 -1462 -1110 -51 -798 519 748 -83 544 -1230 -354 -1382 -637 -1557 -506 -527 1272 -611 -1738 -1931 -2155 143 251 240 -2861 198 -1220 -69 124 1634 2463 776 28 -1905 410 1633 3157 -604 1397 -268 2244 1502 45 1662 706 1996 541 1516 -1272 44 -221 -982 -1762 -913 -742 -366 -351 SS 20240823T111851.4Z 9001.471428 224 1 50.59 2 78.78 84.84 53.11 247.77 0.00 1 0.00 1 0 25 4.389e-01 9.442e-03 7.247e-02 1.748e-03 6.959948e-01 9.725894e-04 7.872693e-03 -6.000000e+00 2.659870e-01 231.08 -2.00 3.51 -2.00 320.78 0.00e+00 4.275177e-03 4.390352e-04 4.494191e-04 -6.000000e+00 1.206410e-02 289.66 -2.00 20.00 -2.00 320.11 0.00e+00 4.958 0.002 302.00 328.00 3 1.0086e+00 3.1937e-03 6.1900e-02 -6.0000e+00 6.6454e-01 7.8375e-02 4.2587e-03 3.7518e-02 -6.0000e+00 7.1809e-01 -6.8220e-02 4.0281e-03 1.9770e-02 -6.0000e+00 4.2696e-01 1.7512e-02 1.9529e-03 8.5282e-03 -6.0000e+00 1.8062e-01 6.4435e-04 -1.6518e-04 4.9829e-05 8.9883e-05 -6.0000e+00 1.3474e-02 1.3733e-02 0.0000e+00 12 9 8 11 12 0 -6.82 22.56 0.29 0.01373 0.01249 141 27 1 5 0 358.680 26.21 20.01 22.56 26.61 37.8 1060.64 -131314 900000 -191795 -145767 -109299 -170863 900000 -101249 -110461 -164327 -128333 -114066 -117840 900000 -43639 -51166 -90854 136191 29033 -49366 -8599 -13794 -46658 -35383 -6329 58390 -4896 -38642 -37717 -22497 969 -7370 -14372 1160 19180 -10612 -17455 8406 840 -3508 -1709 -4516 -3454 1758 10416 -4708 7868 4178 8880 1470 5100 -2052 9582 6264 4241 4194 1777 2947 -106 2502 4313 3622 -25 3720 -1255 4612 710 2231 906 316 1410 58 -327 333 206 719 3159 -319 63 -1020 1264 -1723 -815 -1981 -1521 -1683 -1061 -933 -985 266 29 1042 947 879 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