File name: Pandora55s1_QueensNY_20240602_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240603T050250.2Z 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_20240602_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: 20240602 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 20240602T104057.2Z 8919.445106 148 1 41.30 2 77.92 70.90 48.76 122.67 0.00 1 0.00 1 0 25 4.869e-01 2.860e-02 1.177e-01 4.881e-03 7.131332e-01 2.873634e-03 8.345786e-03 -6.000000e+00 3.101574e-01 232.21 -2.00 3.51 -2.00 321.04 0.00e+00 5.996988e-03 1.384122e-03 3.348584e-03 -6.000000e+00 1.558293e-02 285.53 -2.00 20.00 -2.00 320.46 0.00e+00 4.633 0.002 302.00 328.00 3 3.0038e+00 9.6490e-03 6.1528e-02 -6.0000e+00 7.8404e-01 1.9779e-01 1.3022e-02 4.1708e-02 -6.0000e+00 8.5463e-01 -3.7451e-01 1.2096e-02 2.3415e-02 -6.0000e+00 4.9478e-01 1.7485e-01 5.6939e-03 8.2833e-03 -6.0000e+00 2.0291e-01 1.1568e-04 -7.3051e-04 1.4610e-04 1.3249e-04 -6.0000e+00 1.5537e-02 1.3487e-02 0.0000e+00 12 9 9 12 37 1 78.52 20.92 0.34 0.01349 0.00800 17 4 1 5 0 2293.860 26.11 20.01 20.92 27.18 37.3 1100.00 -186336 900000 -169550 900000 900000 900000 900000 900000 900000 -94720 -94183 -166253 -235912 900000 29857 -70359 900000 900000 900000 425 900000 900000 -77789 63014 -12677 900000 88702 -6979 -30810 64558 102941 51782 46198 74372 900000 6478 -20159 82254 147482 6903 87470 -4438 29698 31122 144752 154 3163 45180 45044 20914 20816 -3663 16897 44641 21150 39889 19144 28638 7312 14848 25669 -1668 -6046 15170 4781 14547 -1985 7990 6669 2488 7466 8530 -1558 13704 177 6362 12559 -1947 -3039 -5023 5540 -2565 -1336 -4577 -846 -5948 -3034 -4767 640 -1303 -1700 450 245 -675 409 -4284 -1902 -2246 -2076 -640 -950 -814 -2092 2034 -942 -1769 -1348 76 1846 600 -2429 253 54 -643 373 761 2178 220 774 -1148 274 2228 349 372 1354 692 1797 670 -181 1571 1334 1555 786 660 -471 182 -194 -190 -1176 -784 -854 -54 -1032 -4141 900000 -3571 900000 900000 900000 900000 900000 900000 -1179 -1278 -5363 -18513 900000 297 -2092 900000 900000 900000 9 900000 900000 -3468 792 -344 900000 935 -181 -1038 1003 1333 1280 1337 1700 900000 280 -1249 2314 2663 534 3506 -444 2253 2384 3915 16 339 3416 3622 2278 2511 -613 2547 5579 3441 5672 3335 4528 1378 2611 4282 -396 -1676 3806 1376 3815 -607 2339 2189 947 2935 3410 -670 4855 65 2045 3670 -673 -1186 -2321 2675 -1486 -827 -3086 -582 -4498 -2332 -3794 485 -972 -1213 300 161 -464 308 -3789 -1861 -2441 -2400 -735 -1044 -831 -2036 1913 -947 -1883 -1492 88 2272 814 -3628 387 84 -985 548 1088 3100 327 1189 -1834 433 3384 523 544 1914 959 2422 937 -274 2575 2351 2874 1514 1329 -994 397 -433 -426 -2651 -1726 -1812 -109 -2044 SS 20240602T104630.2Z 8919.448961 151 1 50.65 2 76.92 71.73 47.88 124.04 0.00 1 0.00 1 0 25 4.336e-01 2.913e-02 1.753e-01 4.895e-03 6.582813e-01 2.749809e-03 7.844206e-03 -6.000000e+00 2.664207e-01 232.21 -2.00 3.51 -2.00 320.78 0.00e+00 8.117114e-03 1.164060e-03 3.211064e-03 -6.000000e+00 1.211027e-02 285.53 -2.00 20.00 -2.00 320.16 0.00e+00 4.305 0.001 302.00 328.00 3 3.4789e+00 8.7650e-03 5.6487e-02 -6.0000e+00 6.6969e-01 2.5398e-01 1.1176e-02 3.6805e-02 -6.0000e+00 7.2545e-01 -3.6547e-01 9.6015e-03 2.2064e-02 -6.0000e+00 4.2857e-01 1.5441e-01 4.6601e-03 9.5651e-03 -6.0000e+00 1.7876e-01 1.0023e-04 -3.7721e-04 1.4488e-04 1.4389e-04 -6.0000e+00 1.3326e-02 1.3572e-02 0.0000e+00 12 9 8 11 36 0 92.24 20.96 0.54 0.01357 0.01074 19 4 1 5 0 2665.210 26.11 20.01 20.96 27.26 37.3 1100.00 -184921 900000 -186064 62067 900000 5499 900000 63026 -113563 -167582 -116462 -134582 -825 900000 -70943 -80673 162771 900000 900000 -22051 31030 -264 -89694 -19792 -23473 8446 -19750 -44912 -39662 92478 50798 8460 102 14383 -5425 -10705 -29399 65022 41688 534 31127 -10176 780 15575 84590 -7448 71870 28852 40958 8108 9771 -6816 48486 38019 17159 29188 16815 24663 1993 11326 19096 10321 -9823 16926 -7711 14938 -881 4941 3797 2982 5580 6931 -2355 10535 -608 2042 10023 -3352 -1316 -5593 6935 -1924 794 -4410 -2147 -6128 -3609 -4756 -1249 -1167 -3842 637 483 -1118 173 -4290 -1048 -1592 -1145 -510 -1337 -297 3564 1170 -1589 -1761 -1388 -417 2809 1724 -2911 105 -1251 -622 -312 996 2490 -165 -61 -1627 1036 1997 4943 -66 1531 -543 1027 -330 -671 1790 1369 1237 1061 854 -723 487 -181 -26 -1557 -472 -1025 -302 -855 -7180 900000 -8015 296 900000 33 900000 301 -2635 -6729 -3137 -5129 -11 900000 -2879 -4112 898 900000 900000 -844 721 -8 -6662 -800 -1019 275 -835 -2387 -2083 1567 1519 442 6 795 -353 -747 -2710 2911 2730 58 2783 -1418 102 1819 5301 -1125 5327 3309 4431 1275 1664 -1486 6829 6288 3581 5633 3662 4929 482 2520 4164 2691 -3432 5060 -2979 4648 -314 1745 1492 1311 2577 3238 -1172 4428 -261 785 3427 -1341 -574 -2933 3702 -1233 536 -3273 -1652 -5122 -3076 -4168 -1058 -959 -3066 463 344 -834 140 -4064 -1086 -1830 -1394 -619 -1556 -318 3509 1175 -1708 -1987 -1632 -514 3622 2432 -4568 168 -2028 -981 -475 1458 3620 -252 -97 -2685 1676 3141 7401 -100 2229 -781 1432 -477 -1045 2989 2448 2320 2066 1737 -1547 1070 -407 -60 -3565 -1051 -2215 -622 -1727 SS 20240602T105232.8Z 8919.453157 154 1 18.95 2 75.83 72.63 46.93 125.56 0.00 1 0.00 1 0 25 3.957e-01 2.069e-02 1.478e-01 5.492e-03 6.286449e-01 3.041716e-03 7.233570e-03 -6.000000e+00 2.424700e-01 232.21 -2.00 3.51 -2.00 320.39 0.00e+00 4.029397e-03 1.167582e-03 1.670644e-03 -6.000000e+00 1.109117e-02 285.53 -2.00 20.00 -2.00 319.73 0.00e+00 3.995 0.001 302.00 328.00 3 3.1569e+00 9.3062e-03 5.2491e-02 -6.0000e+00 6.0846e-01 1.2741e-01 1.1659e-02 3.3972e-02 -6.0000e+00 6.5847e-01 -1.8495e-01 1.0108e-02 1.8059e-02 -6.0000e+00 3.9002e-01 7.8896e-02 5.0186e-03 6.3510e-03 -6.0000e+00 1.6300e-01 1.9652e-04 -2.7302e-04 1.6188e-04 8.5170e-05 -6.0000e+00 1.2194e-02 1.3859e-02 0.0000e+00 12 9 9 12 37 1 48.80 20.93 0.23 0.01386 0.01181 8 5 1 5 0 2104.870 26.11 19.99 20.93 27.42 37.3 1100.00 -148611 900000 -163383 -18365 164479 -96791 900000 -82224 -68824 -113058 -78265 -98069 -170574 900000 -4627 46285 -77880 900000 136294 -27036 19211 1958 -58642 -18111 -8893 900000 3737 -32406 -23613 7535 29473 5906 721 -674 102210 -10465 -19012 26652 29723 -465 18794 -3601 2379 7694 28023 -7293 21081 15643 11049 6358 8622 -4205 17871 13876 7688 15373 6300 8672 3862 3063 9130 3864 -3396 6930 -3522 6743 330 2049 2946 1841 1522 3761 -2448 -2199 -2673 2203 7622 -2084 -1923 -4326 3295 -2249 -264 -3854 -1498 -3257 -2184 -2345 -1214 -859 -574 797 92 -759 866 -399 -271 -1212 -1326 -510 -829 179 1470 406 -1344 -1307 -1360 727 1139 375 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