File name: Pandora55s1_QueensNY_20230731_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230802T220200.4Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230731_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: 20230731 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 20230731T103538.6Z 8612.441419 161 1 49.68 2 82.95 71.93 117.12 255.92 0.00 1 0.00 1 0 25 7.234e-01 4.724e-02 2.414e-01 1.018e-02 8.822966e-01 6.282560e-03 1.043593e-02 -6.000000e+00 4.699838e-01 232.34 -2.00 3.51 -2.00 321.90 0.00e+00 -1.245509e-02 2.952618e-03 6.778643e-03 -6.000000e+00 2.273614e-02 289.95 -2.00 20.00 -2.00 321.32 0.00e+00 7.471 0.008 302.00 328.00 3 1.1688e+00 2.2815e-02 9.3815e-02 -6.0000e+00 1.1823e+00 1.3828e+00 2.8273e-02 6.1508e-02 -6.0000e+00 1.2871e+00 -1.8670e+00 1.6989e-02 2.8555e-02 -6.0000e+00 7.6176e-01 7.3638e-01 8.3746e-03 7.1402e-03 -6.0000e+00 3.1592e-01 3.6777e-05 -2.3386e-03 3.0319e-04 1.7792e-04 -6.0000e+00 2.3295e-02 9.3980e-03 0.0000e+00 12 9 8 11 4 0 -3.06 22.43 0.49 0.00940 -0.00818 27 5 1 5 0 1839.480 26.00 19.97 22.43 26.15 35.9 1066.48 4043 900000 -26522 900000 224119 74909 900000 178155 183891 -32008 111489 -16225 -65291 900000 900000 -8626 900000 900000 900000 900000 238144 900000 -38344 161784 36813 900000 26558 83900 -41851 93830 900000 92343 4057 96753 900000 -4542 71256 194040 900000 58624 900000 17827 82019 78928 300223 38270 900000 900000 152569 171816 28234 31562 900000 900000 99502 900000 161654 171234 91143 50316 900000 43487 -1133 87387 -27566 85016 12130 47843 41063 12139 49983 74804 -330 128399 -1744 52246 70265 11901 -7688 -4073 41272 8913 17148 -15867 10343 -12424 5314 -11471 7106 -1766 -4437 1923 6120 -889 -3530 -6783 -10499 166 -5001 -1160 -6331 604 6250 4727 779 -2955 -3591 -2710 7948 -1992 -7236 -2542 -47 -3955 -701 -561 4384 -97 -1159 -3356 -361 6140 10059 2089 -15 151 2286 931 -2702 957 2714 2198 2019 766 -226 1333 865 689 -2015 -1049 -848 -392 -2722 370 900000 -2769 900000 2214 2070 900000 2047 2077 -2867 2580 -1341 -9416 900000 900000 -908 900000 900000 900000 900000 2353 900000 -4574 3090 2418 900000 1723 2806 -4252 2681 900000 3278 350 3401 900000 -380 3119 3031 900000 4460 900000 2144 5265 4958 2966 3178 900000 900000 4349 4316 3014 3568 900000 900000 7127 900000 6693 6254 6648 5084 900000 4904 -213 7848 -7510 8059 2275 6753 6855 2964 9241 11228 -97 10492 -435 7072 7602 2294 -1984 -1194 9202 3039 5954 -7978 4328 -6734 2543 -6538 3379 -876 -2139 833 2534 -415 -1911 -4364 -8078 131 -4500 -1030 -5617 463 4215 3191 572 -2381 -3074 -2470 7271 -2247 -9527 -3477 -66 -5659 -955 -746 5634 -134 -1690 -5141 -536 8338 12765 2767 -20 194 2848 1220 -4051 1577 4869 4281 4182 1698 -534 3274 2188 1755 -5234 -2637 -2023 -875 -5969 SS 20230731T104650.3Z 8612.449193 164 1 50.34 2 80.93 73.66 119.07 257.44 0.00 1 0.00 1 0 25 5.734e-01 2.437e-02 1.928e-01 3.832e-03 7.631520e-01 2.238427e-03 8.834092e-03 -6.000000e+00 3.559421e-01 232.34 -2.00 3.51 -2.00 321.44 0.00e+00 7.865685e-03 1.219867e-03 2.732984e-03 -6.000000e+00 1.707837e-02 289.95 -2.00 20.00 -2.00 320.85 0.00e+00 6.006 0.004 302.00 328.00 3 1.2194e+00 8.2710e-03 7.3129e-02 -6.0000e+00 8.9467e-01 3.6074e-01 1.1413e-02 4.2409e-02 -6.0000e+00 9.7131e-01 -5.2824e-01 1.0200e-02 2.4578e-02 -6.0000e+00 5.7296e-01 2.2261e-01 4.6835e-03 1.0482e-02 -6.0000e+00 2.3794e-01 1.7696e-04 -9.5915e-04 1.1188e-04 1.6072e-04 -6.0000e+00 1.7772e-02 1.0991e-02 0.0000e+00 12 9 8 11 4 0 97.49 22.39 0.32 0.01099 0.00378 76 14 1 5 0 661.830 26.00 20.00 22.39 27.12 35.7 1071.39 -222731 900000 -226055 42627 900000 -186607 900000 -67448 -26604 -205474 -133832 -185626 -219015 900000 145013 -68709 -3439 900000 900000 900000 14894 210135 -94540 -17128 -33911 900000 13652 -31961 -53212 -10506 101018 10862 -32640 36349 900000 -7761 16091 40556 80806 26651 48951 10836 21435 27576 66457 9541 42735 39536 42497 26863 14915 8724 56704 41115 29792 31772 21582 31695 13354 13095 28578 12163 92 21881 -4374 22358 790 6954 10089 3127 6408 8043 -815 11001 846 4496 13210 -53 -3234 -3669 5533 -746 1050 -4875 -930 -4822 -1596 -3744 -922 -985 -1824 891 -577 78 -890 -2675 -2555 -2114 -1849 -1762 -1313 -592 2091 -1096 -1186 -1864 -2091 -875 889 -323 -1700 -180 -311 -471 -73 1183 2105 287 -467 -667 102 1525 2311 932 744 588 1481 1207 193 991 1088 1267 768 729 -472 215 179 -411 -1205 -435 -703 -104 -954 -5804 900000 -6747 159 900000 -3378 900000 -448 -126 -5661 -2059 -5635 -11651 900000 541 -1635 -49 900000 900000 900000 213 784 -3912 -361 -876 900000 227 -815 -1732 -262 1061 319 -1600 962 900000 -309 568 1346 2169 1357 2228 742 1390 1733 2980 743 2539 2528 2829 2238 1541 1054 4800 4320 3643 3953 2973 3935 1919 1889 3749 2051 20 4226 -1126 4529 196 1719 2696 996 2139 2724 -293 3356 260 1227 3200 -15 -1075 -1439 2312 -370 559 -2899 -566 -3195 -1075 -2632 -628 -652 -1161 526 -340 48 -616 -2153 -2345 -2159 -2022 -1950 -1382 -571 1848 -994 -1125 -1875 -2211 -976 1061 -430 -2491 -275 -484 -722 -109 1703 3020 432 -736 -1081 164 2358 3454 1373 1069 825 2027 1715 301 1697 2015 2486 1580 1572 -1075 507 431 -1000 -2955 -1034 -1614 -227 -2034 SS 20230731T105826.0Z 8612.457246 169 1 50.26 2 78.81 75.45 121.10 259.02 0.00 1 0.00 1 0 25 4.317e-01 9.804e-03 1.084e-01 1.653e-03 6.543485e-01 9.125247e-04 7.418515e-03 -6.000000e+00 2.608759e-01 232.33 -2.00 3.51 -2.00 320.66 0.00e+00 4.554074e-03 3.917784e-04 4.425898e-04 -6.000000e+00 1.187014e-02 289.95 -2.00 20.00 -2.00 319.97 0.00e+00 4.970 0.002 302.00 328.00 3 9.0679e-01 2.9399e-03 6.0794e-02 -6.0000e+00 6.5317e-01 7.5326e-02 3.8350e-03 3.5389e-02 -6.0000e+00 7.0441e-01 -7.2259e-02 3.5194e-03 1.8633e-02 -6.0000e+00 4.2021e-01 1.9302e-02 1.7250e-03 8.2709e-03 -6.0000e+00 1.7819e-01 7.4036e-04 -1.8001e-04 4.7797e-05 8.6365e-05 -6.0000e+00 1.2989e-02 1.0473e-02 0.0000e+00 12 9 8 11 4 0 22.90 22.39 0.29 0.01047 0.00912 159 30 1 5 0 315.990 26.00 20.00 22.39 27.95 35.9 1075.95 -143275 900000 -157099 -74063 -111708 -120116 275737 -7019 -106167 -122516 -118557 -101622 -130066 77861 -34027 -52528 -104286 42357 25729 -1017 9296 -732 -28095 -24377 -16638 41138 -16701 -24577 -34139 -15486 -1020 -4361 -22032 950 12314 -5225 -6159 3717 1580 -3355 3440 -4670 824 2137 9505 -2867 7021 4754 7351 2124 2908 957 6988 5819 2576 4329 506 2708 1320 3178 4403 2806 356 3590 -642 4118 1258 1719 2811 -384 1156 212 -1230 328 -450 725 2236 643 -827 -1063 639 -1025 -1585 -1975 -1635 -1549 -1069 -826 -596 15 377 395 1453 544 1149 26 491 -484 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