File name: Pandora55s1_QueensNY_20240714_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240715T051647.7Z 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_20240714_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: 20240714 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 20240714T103326.4Z 8961.439889 68 1 49.48 2 81.12 69.13 150.99 343.97 0.00 1 0.00 1 0 25 8.417e-01 4.490e-02 2.478e-01 8.621e-03 7.867226e-01 5.185673e-03 9.165389e-03 -6.000000e+00 5.362818e-01 232.88 -2.00 3.51 -2.00 321.66 0.00e+00 4.733701e-03 2.661429e-03 4.002591e-03 -6.000000e+00 2.557164e-02 289.54 -2.00 20.00 -2.00 321.09 0.00e+00 6.120 0.004 302.00 328.00 3 2.3730e+00 1.8952e-02 7.6093e-02 -6.0000e+00 1.3520e+00 9.0179e-01 2.3809e-02 4.6132e-02 -6.0000e+00 1.4684e+00 -1.3263e+00 1.6263e-02 2.2606e-02 -6.0000e+00 8.6308e-01 5.5252e-01 7.7500e-03 6.4397e-03 -6.0000e+00 3.5792e-01 4.5026e-05 -1.9237e-03 2.5871e-04 1.4113e-04 -6.0000e+00 2.7150e-02 1.3850e-02 0.0000e+00 12 9 8 11 36 0 75.78 22.82 0.46 0.01385 -0.00061 21 4 1 5 0 2355.480 26.11 20.00 22.82 30.38 37.8 1096.87 -54653 106455 -104791 900000 900000 204166 900000 900000 413906 -89480 -38730 -79065 -74293 900000 157111 -34045 900000 900000 900000 37446 226029 900000 -53361 34603 7389 900000 17136 23036 -40021 22905 900000 72188 50358 60376 900000 -3660 -10270 266686 900000 36270 417774 24388 86235 95169 900000 17220 900000 183718 172756 43469 50859 -4572 900000 241515 58639 173592 80994 131250 58348 47823 113228 34355 -3912 71157 32930 81657 7000 20548 28372 18217 28748 46218 481 59362 3523 28113 44557 5462 -1620 -12096 28742 3063 5985 -6596 6156 -12709 -4088 -9806 -1280 -3582 -9856 795 -1409 2987 -1259 -8650 -8562 -3804 -2905 -2318 -3203 -912 3910 2416 -1632 -3759 -3985 -2559 3452 1182 -6361 304 -648 -2756 -1189 1343 4308 707 -157 -2730 -103 4823 9425 1481 2796 -409 1297 343 -1343 1610 3597 2592 1999 1019 -761 610 202 90 -2375 -1138 -1315 410 -2324 -3197 1365 -9388 900000 900000 1711 900000 900000 3468 -5198 -1435 -4847 -5252 900000 1701 -2501 900000 900000 900000 1498 1894 900000 -4575 1320 368 900000 720 868 -2718 938 900000 2462 2270 2460 900000 -253 -812 2235 900000 2734 3501 2270 4541 4558 900000 1694 900000 3869 4214 3833 4542 -749 900000 4409 6226 6429 7127 7019 5908 5221 6884 4758 -865 8570 5892 9209 1579 4273 6049 4756 7314 10225 158 10566 958 5527 7163 1317 -467 -4511 8511 1301 2690 -3538 3109 -8022 -2486 -6411 -770 -2130 -5899 409 -729 1559 -765 -6491 -7374 -3542 -2910 -2338 -3103 -796 3050 1904 -1394 -3467 -3879 -2643 3706 1438 -9080 437 -963 -4110 -1705 1842 5812 1015 -238 -4352 -160 7006 12764 2089 3806 -556 1711 473 -2062 2691 6463 5013 4082 2214 -1762 1457 495 223 -5967 -2761 -3057 891 -4985 SS 20240714T104614.2Z 8961.448775 73 1 50.16 2 78.84 71.07 151.56 350.10 0.00 1 0.00 1 0 25 5.994e-01 1.858e-02 1.333e-01 3.177e-03 6.872809e-01 1.790011e-03 7.873314e-03 -6.000000e+00 3.666373e-01 232.88 -2.00 3.51 -2.00 320.96 0.00e+00 6.000918e-03 8.282408e-04 1.681253e-03 -6.000000e+00 1.701992e-02 289.55 -2.00 20.00 -2.00 320.30 0.00e+00 4.982 0.002 302.00 328.00 3 2.0257e+00 6.0017e-03 6.2108e-02 -6.0000e+00 9.1877e-01 1.8032e-01 7.9026e-03 3.7151e-02 -6.0000e+00 9.9172e-01 -2.6894e-01 7.0347e-03 2.0639e-02 -6.0000e+00 5.8891e-01 1.0838e-01 3.3748e-03 8.6670e-03 -6.0000e+00 2.4788e-01 2.2789e-04 -3.9301e-04 9.2653e-05 1.1512e-04 -6.0000e+00 1.8477e-02 1.3005e-02 0.0000e+00 12 9 8 11 4 0 18.68 22.83 0.30 0.01300 0.01005 58 11 1 5 0 864.630 26.11 19.99 22.83 31.09 37.9 1100.00 -191542 900000 -233481 -103430 -37312 -153254 900000 -44259 -94909 -177732 -117695 -143292 -133138 900000 -47668 -84293 -65905 429133 88784 -37170 9568 26267 -82928 -30813 -37408 900000 -19342 -56707 -53821 -25889 42739 -10410 -837 -2288 137362 -9062 -15523 28344 28678 -3914 13864 -4038 -1444 13606 40048 -585 17351 22117 17285 6855 12852 -5649 26500 20046 11560 12574 10560 11086 3724 4571 12208 5541 -2704 11057 -2959 11107 -1034 4292 3606 2558 3089 4285 -2060 5849 965 2165 5487 -1044 -2617 -2892 3311 -2675 -528 -2954 -1530 -3035 -2264 -2593 -770 -560 -1545 723 -472 -413 -609 -1525 -991 -1353 -403 -317 -905 -49 1823 -328 -1280 -833 -1613 -70 1445 253 -1867 -191 -480 -832 372 1489 1682 577 32 -1049 -467 1114 1549 345 809 -32 2109 978 -39 642 626 809 809 543 -465 106 150 -532 -867 -606 -602 86 -409 -4037 900000 -8200 -1017 -184 -2345 900000 -288 -1084 -4714 -1954 -3653 -3932 900000 -976 -2822 -2073 1329 757 -1083 183 434 -3983 -971 -1326 900000 -593 -2453 -2364 -991 1031 -485 -39 -113 1799 -483 -983 1415 1692 -357 1182 -433 -158 1325 3130 -68 1770 2249 1950 919 1801 -1040 3953 3400 2220 2488 2156 2237 790 963 2527 1345 -791 3127 -988 3244 -338 1403 1312 1048 1356 1912 -956 2400 383 783 1845 -386 -1094 -1406 1746 -1650 -345 -2083 -1126 -2383 -1840 -2151 -627 -443 -1172 512 -330 -300 -489 -1388 -1008 -1527 -480 -380 -1038 -52 1801 -331 -1356 -924 -1881 -85 1870 359 -2886 -305 -774 -1317 565 2190 2479 883 52 -1735 -768 1776 2397 525 1196 -46 2954 1423 -61 1099 1147 1553 1612 1130 -1018 239 346 -1241 -2025 -1386 -1332 181 -849 SS 20240714T105235.4Z 8961.453188 76 1 50.41 2 77.70 72.03 151.75 353.21 0.00 1 0.00 1 0 25 3.662e-01 1.112e-02 1.080e-01 2.231e-03 6.352084e-01 1.237114e-03 7.196817e-03 -6.000000e+00 2.233466e-01 232.88 -2.00 3.51 -2.00 320.61 0.00e+00 4.090784e-03 5.189452e-04 4.670193e-04 -6.000000e+00 1.005972e-02 289.55 -2.00 20.00 -2.00 319.92 0.00e+00 4.555 0.002 302.00 328.00 3 1.9119e+00 3.9554e-03 5.6935e-02 -6.0000e+00 5.6055e-01 4.7810e-02 5.1037e-03 3.4265e-02 -6.0000e+00 6.0490e-01 -8.0846e-02 4.5968e-03 1.7841e-02 -6.0000e+00 3.5907e-01 2.6490e-02 2.2594e-03 7.5091e-03 -6.0000e+00 1.5131e-01 4.1379e-04 -5.3016e-05 6.5493e-05 8.0876e-05 -6.0000e+00 1.1247e-02 1.3622e-02 0.0000e+00 12 9 8 11 4 0 18.41 22.82 0.22 0.01362 0.01322 84 16 1 5 0 600.030 26.11 20.00 22.82 31.27 37.9 1100.00 -164129 900000 -172770 -28683 19251 -125464 900000 44054 -97908 -124255 -101415 -112815 -95483 900000 -10300 -54610 -83900 50262 37173 -42049 5455 8603 -49328 -29374 -31202 139493 -21297 -22174 -40735 -5193 942 -3031 -5533 2621 39916 -14103 -11022 9699 9593 -1196 8118 -10406 -479 2076 16720 -5690 7359 7250 9027 790 2721 -3684 10516 7945 2697 5442 938 5451 -371 2983 5932 4029 -894 3816 -992 4127 177 2035 3066 894 1178 689 -894 1354 -539 1070 2325 116 -479 -1169 870 -2053 -1585 -2312 -825 -1916 -1166 -1218 -699 -159 -68 716 875 669 742 -635 181 -398 -382 -524 -454 320 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