File name: Pandora55s1_QueensNY_20230813_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230814T062212.3Z 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_20230813_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: 20230813 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 20230813T111134.1Z 8625.466367 162 1 50.87 2 78.38 80.56 47.39 89.12 0.00 1 0.00 1 0 17 9.628e-01 6.699e-02 2.314e-01 1.391e-02 5.666280e-01 7.961407e-03 7.844987e-03 -6.000000e+00 5.982183e-01 231.87 -2.00 3.51 -2.00 320.79 0.00e+00 2.514993e-02 2.970079e-03 2.961380e-03 -6.000000e+00 2.916699e-02 290.24 -2.00 20.00 -2.00 320.08 0.00e+00 4.802 0.002 302.00 328.00 3 4.2247e+00 2.4757e-02 5.6721e-02 -6.0000e+00 1.5066e+00 7.6400e-01 2.9567e-02 3.5888e-02 -6.0000e+00 1.6394e+00 -9.2719e-01 1.8933e-02 2.2151e-02 -6.0000e+00 9.6245e-01 3.7908e-01 9.4035e-03 2.2861e-02 -6.0000e+00 3.9919e-01 2.7809e-05 -4.6545e-03 4.3773e-04 3.1532e-04 -6.0000e+00 3.0292e-02 3.0364e-02 0.0000e+00 12 9 8 11 36 0 99.98 19.63 1.23 0.03036 -0.00461 23 4 1 5 0 2211.340 26.00 20.02 19.63 28.93 36.0 1075.26 -22795 900000 -46616 900000 900000 139890 900000 900000 100880 -77265 -24134 -90263 37077 900000 900000 -48238 103478 900000 900000 900000 197522 900000 -53959 44686 24473 18446 41864 15970 -29666 79389 656933 74232 -6175 79207 900000 21815 -500 159889 411171 23912 133204 92965 70994 23821 419110 1873 260185 109903 77754 50200 6092 3595 168383 131701 58124 141245 56047 73843 24984 29704 56912 23391 -16654 39458 -25718 60672 2585 17131 20436 -3132 26659 32624 -7440 45584 -1458 10575 49022 -2021 -21010 -11513 2562 11772 7051 -16044 308 -16909 -4394 -12731 164 -3853 -7523 -4005 -486 -2733 454 -10989 -4521 -272 335 1164 -2026 409 8573 5294 442 -1126 -4270 883 10440 4475 -7619 2790 -1197 -4166 -1946 17 7610 -1387 1012 -5223 750 6513 13393 -605 -1045 -698 226 -1094 -2394 5546 4084 3757 -1519 2869 -1504 1388 330 907 -3529 -1560 -2203 1142 -1927 -2223 900000 -5869 900000 900000 2082 900000 900000 1797 -6927 -1333 -10618 1697 900000 900000 -8286 4711 900000 900000 900000 3718 900000 -9121 2849 1776 1355 2406 1161 -3421 3730 8890 4931 -930 5386 900000 2294 -68 5400 5564 3414 7280 7658 7451 3972 5672 403 5136 9061 8817 7649 1481 953 10215 11562 10125 11338 9635 10495 5457 6282 9892 6110 -7001 10713 -13098 13531 957 5605 6985 -1463 10097 11930 -3848 13590 -617 3648 11187 -753 -10260 -5975 1328 6248 4187 -12392 216 -14564 -3542 -11327 129 -3065 -5866 -2820 -316 -1848 326 -9963 -4409 -287 379 1320 -2248 409 7428 4719 432 -1185 -4857 1019 11941 5924 -12132 4241 -1892 -6540 -2859 23 9968 -2037 1533 -8726 1200 9718 18253 -905 -1514 -974 304 -1521 -3632 8668 6987 6801 -2981 5676 -3247 3052 751 2081 -8416 -3595 -4894 2346 -3949 SS 20230813T113844.0Z 8625.485231 174 1 50.32 2 73.28 84.84 42.39 93.56 0.00 1 0.00 1 0 25 4.010e-02 5.966e-03 7.972e-03 6.776e-04 4.630210e-01 3.602962e-04 5.397577e-03 -6.000000e+00 2.419464e-02 231.87 -2.00 3.51 -2.00 319.15 0.00e+00 8.530330e-04 9.201290e-05 2.719317e-04 -6.000000e+00 1.089917e-03 290.24 -2.00 20.00 -2.00 318.31 0.00e+00 3.421 0.001 302.00 328.00 3 1.0030e+00 1.0142e-03 4.2149e-02 -6.0000e+00 6.0501e-02 1.6405e-02 1.1819e-03 2.4637e-02 -6.0000e+00 6.5267e-02 -1.1485e-02 8.6113e-04 1.1853e-02 -6.0000e+00 3.8934e-02 -1.8605e-03 4.4918e-04 3.5182e-03 -6.0000e+00 1.6460e-02 3.6874e-03 4.8199e-06 2.0545e-05 3.9513e-05 -6.0000e+00 1.2064e-03 1.0403e-02 0.0000e+00 11 1 0 11 4 0 99.99 19.62 0.20 0.01040 0.01044 398 75 1 5 0 126.400 25.90 20.02 19.62 29.55 36.0 1080.09 -20119 8203 -17426 -6133 -12864 -12722 924 -9192 -10456 -18765 -5984 -10542 -11571 -170 247 -3825 -9203 2798 1376 -147 310 1648 -3844 -1324 -2222 726 -2828 -1712 -1828 20 1497 711 -1718 -845 1803 -997 -623 418 -105 -1818 -650 -1854 -1325 -1031 -162 -731 -198 236 949 838 504 719 1449 1198 446 905 34 417 687 1187 1528 1435 828 -133 247 854 696 1506 1011 155 -331 -489 -599 -488 -296 351 637 1221 67 20 -632 -1417 -1213 -1249 -1071 -747 -451 -456 -411 -15 570 709 1581 1618 1271 780 639 -295 -592 -422 -645 -12 613 -69 -1064 -489 -801 -219 -84 -131 -309 -238 -54 -36 627 884 950 538 -101 -750 -487 -240 -294 47 38 284 1327 983 276 469 34 299 204 157 -212 -177 184 -400 -496 -168 -123 -139 188 -523 174 -481 -143 -305 -310 22 -275 -348 -660 -214 -415 -555 -9 15 -271 -748 217 115 -13 28 149 -360 -131 -237 77 -308 -179 -191 2 182 99 -267 -132 269 -158 -111 83 -25 -510 -198 -567 -417 -329 -52 -237 -64 77 316 295 194 302 614 542 212 445 17 208 337 581 781 802 485 -85 158 522 413 909 674 111 -246 -376 -457 -372 -208 234 395 754 46 15 -511 -1226 -1131 -1240 -1081 -802 -485 -503 -451 -16 583 703 1474 1521 1301 862 764 -379 -782 -556 -834 -14 708 -82 -1295 -629 -1043 -300 -119 -195 -493 -378 -84 -55 940 1260 1347 796 -154 -1202 -788 -380 -452 72 56 415 1852 1397 409 734 55 511 350 282 -394 -335 358 -796 -991 -327 -238 -255 347 SS 20230813T114520.9Z 8625.489825 178 1 9.58 2 72.04 85.89 41.17 94.71 0.00 1 0.00 1 0 17 2.364e-01 1.146e-02 1.004e-01 5.170e-03 4.306377e-01 2.739050e-03 5.007222e-03 -6.000000e+00 1.425638e-01 231.87 -2.00 3.51 -2.00 318.87 0.00e+00 6.278050e-04 6.449037e-04 2.178545e-04 -6.000000e+00 6.424175e-03 290.24 -2.00 20.00 -2.00 318.02 0.00e+00 3.198 0.001 302.00 328.00 3 3.3750e+00 7.6053e-03 3.9274e-02 -6.0000e+00 3.5649e-01 3.1634e-02 8.7964e-03 2.2793e-02 -6.0000e+00 3.8462e-01 -9.9166e-03 6.1567e-03 1.1005e-02 -6.0000e+00 2.2944e-01 1.9317e-03 3.1984e-03 3.1688e-03 -6.0000e+00 9.6956e-02 4.3784e-04 -1.1965e-04 1.5774e-04 3.6181e-05 -6.0000e+00 7.1105e-03 1.2937e-02 0.0000e+00 12 9 9 12 5 1 99.14 19.65 0.36 0.01294 0.01204 4 5 1 5 0 1879.730 25.90 20.02 19.65 30.29 36.2 1083.87 -44098 245342 -45625 31674 12042 4922 58041 -5032 -25201 -14400 -2747 -33440 -45901 17510 2450 -19014 -4822 14580 16562 18069 4309 7662 -10912 4194 -6075 15237 -4664 3282 -20774 -3700 5759 6506 -13030 2088 11320 -5849 -1801 -828 3573 -4869 717 -3736 -2224 -496 4082 -847 4921 2273 2009 517 -88 -607 4306 4010 284 3714 315 3077 164 965 1710 1671 -1867 962 -2038 839 -83 1865 627 -502 778 961 -1234 2042 -625 -132 1790 862 -2232 88 -1047 -1565 -1462 -1480 -165 -2064 -348 -670 -299 -834 129 424 1728 799 1152 -352 1009 -41 -1247 -73 -798 -90 729 251 -917 -372 -696 -19 591 290 -1313 35 -147 -484 327 369 1293 927 -649 -1058 -289 686 379 628 47 172 980 1327 73 799 636 -190 -4 685 -213 -23 680 -23 -598 -599 -300 -832 -125 -1844 1237 -2083 666 289 130 1031 -182 -1196 -648 -117 -2132 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