File name: Pandora55s1_QueensNY_20240814_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240815T053756.6Z 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_20240814_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: 20240814 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 20240814T111118.2Z 8992.466182 69 1 49.32 2 78.72 81.00 162.47 315.95 0.00 1 0.00 1 0 25 4.320e-01 3.412e-02 1.243e-01 5.144e-03 6.932425e-01 2.906485e-03 8.690119e-03 -6.000000e+00 2.665358e-01 231.80 -2.00 3.51 -2.00 320.95 0.00e+00 1.099246e-02 1.281807e-03 4.797215e-03 -6.000000e+00 1.245723e-02 290.29 -2.00 20.00 -2.00 320.28 0.00e+00 4.932 0.002 302.00 328.00 3 2.8592e+00 9.5882e-03 6.3675e-02 -6.0000e+00 6.6928e-01 4.9645e-01 1.2049e-02 4.0936e-02 -6.0000e+00 7.2637e-01 -6.9785e-01 9.1859e-03 2.3215e-02 -6.0000e+00 4.2960e-01 3.0247e-01 4.4627e-03 9.1581e-03 -6.0000e+00 1.7882e-01 9.5075e-05 -8.4271e-04 1.4937e-04 1.8235e-04 -6.0000e+00 1.3373e-02 1.5181e-02 0.0000e+00 12 9 8 11 36 0 4.75 22.63 0.36 0.01518 0.00885 20 4 1 5 0 2465.290 26.21 20.01 22.63 27.34 38.0 1066.99 -161347 900000 -156370 220565 -15021 -86986 900000 33269 -47393 -147019 -108163 -115342 -43491 900000 50429 -64246 -6468 900000 900000 -5713 38815 79787 -66512 14030 -21982 900000 -3626 753 -46595 47288 52791 17714 23131 27628 900000 -16696 -12377 61729 82231 5326 64418 -4170 16766 22318 110257 8361 69119 54198 54799 25814 18090 -48 63211 46994 19351 42426 23106 31314 9002 10076 28736 9138 -4168 23905 -2106 22086 2310 5513 10523 2310 8028 10635 -3161 17170 -2427 3620 16700 -347 -4023 -8904 5856 -3145 -1021 -6028 -486 -7217 -3683 -7233 530 -4124 -3434 -423 -279 -3733 -2449 -3524 -2962 -1901 -2263 -841 -1782 442 2294 1066 -2230 -2261 -2299 -278 2256 123 -2720 48 -238 -1342 32 474 2680 1022 -152 -1348 559 3001 4754 1772 1404 -104 1574 1293 239 1993 2037 1773 1543 -167 -412 342 376 -731 -1177 -1169 -1353 -263 -1729 -10346 900000 -10065 1105 -214 -2356 900000 307 -961 -7676 -4181 -5644 -1368 900000 988 -4184 -268 900000 900000 -261 1151 1571 -5157 525 -1162 900000 -158 31 -3088 1469 1842 1000 1351 1559 900000 -1376 -1072 3102 3947 585 4409 -567 1941 2501 5541 1106 5316 4952 5221 3450 2829 -10 7660 7006 3836 6949 4522 5580 1923 2127 5359 2253 -1297 6289 -727 6053 755 1817 3655 958 3389 4481 -1472 6259 -971 1256 4923 -124 -1665 -4464 2950 -1908 -654 -4267 -346 -5701 -2942 -6065 414 -3248 -2556 -291 -188 -2686 -1923 -3169 -2999 -2112 -2684 -994 -2020 456 2200 1030 -2318 -2467 -2630 -331 2843 173 -4190 75 -380 -2120 49 697 3894 1549 -242 -2224 909 4679 7113 2637 2043 -149 2183 1849 373 3356 3673 3369 3055 -349 -897 767 861 -1697 -2740 -2658 -2968 -546 -3539 SS 20240814T111740.8Z 8992.470611 72 1 49.77 2 77.52 82.00 163.25 319.68 0.00 1 0.00 1 0 25 4.212e-01 1.813e-02 1.377e-01 3.231e-03 6.545082e-01 1.814083e-03 7.465937e-03 -6.000000e+00 2.596722e-01 231.80 -2.00 3.51 -2.00 320.63 0.00e+00 5.302264e-03 7.693710e-04 6.917658e-04 -6.000000e+00 1.219318e-02 290.29 -2.00 20.00 -2.00 319.94 0.00e+00 4.495 0.002 302.00 328.00 3 2.6374e+00 5.8150e-03 5.6891e-02 -6.0000e+00 6.5244e-01 1.3297e-01 7.5158e-03 3.4976e-02 -6.0000e+00 7.0726e-01 -1.5616e-01 6.6402e-03 1.8743e-02 -6.0000e+00 4.1765e-01 6.1062e-02 3.2540e-03 8.4267e-03 -6.0000e+00 1.7428e-01 1.9954e-04 -5.0974e-04 9.4975e-05 9.3297e-05 -6.0000e+00 1.3143e-02 1.5586e-02 0.0000e+00 12 9 8 11 4 0 68.64 22.63 0.29 0.01559 0.01176 33 6 1 5 0 1507.980 26.21 19.98 22.63 27.50 37.9 1067.99 -201540 900000 -216676 100006 -35140 5594 900000 900000 -108857 -183339 -119207 -128542 -71367 900000 45970 -82714 -53668 900000 900000 -48654 33629 42356 -66621 -5381 -5853 900000 -26061 -6708 -55582 6988 10568 3500 -1876 6899 129604 -14844 -21839 14267 34395 -11617 21293 -13248 4418 -671 29706 -5211 20197 14683 14682 5311 4543 -938 20212 18107 3657 14349 4483 10520 3022 677 13216 3195 -1907 6282 -1951 6888 956 882 3346 385 2228 2750 -2643 4785 -1132 2487 5542 1409 -2702 -3407 2114 -2232 -989 -2653 -1675 -3582 -1811 -3233 -326 -1431 -447 268 1778 246 651 -664 -740 -401 -948 -131 -745 467 1473 907 -1243 -773 -1545 -288 862 133 -1643 -65 -481 -649 357 917 1654 588 -64 -1213 -273 855 1818 81 949 178 1484 1005 -208 669 718 897 647 498 -465 178 108 -344 -917 -802 -561 -141 -113 -5213 900000 -7290 315 -195 22 900000 900000 -1672 -6005 -2367 -3343 -1382 900000 454 -3161 -1744 900000 900000 -1832 600 709 -3239 -159 -184 900000 -1017 -219 -2958 234 407 168 -105 366 2164 -982 -1736 963 2293 -1357 2018 -1842 544 -89 3045 -753 2384 1894 2005 852 808 -194 3739 3661 883 3264 1132 2494 755 174 3182 926 -645 2147 -743 2405 350 338 1385 181 1110 1401 -1389 2238 -519 1016 2116 576 -1268 -1851 1243 -1506 -707 -2028 -1339 -3053 -1582 -2906 -285 -1226 -363 205 1315 190 548 -632 -787 -465 -1167 -161 -878 509 1513 940 -1360 -884 -1852 -361 1140 191 -2547 -104 -772 -1019 538 1344 2418 890 -100 -1979 -444 1348 2776 121 1385 254 2063 1436 -321 1112 1271 1656 1237 992 -968 382 236 -761 -2035 -1746 -1182 -284 -223 SS 20240814T112315.1Z 8992.474480 75 1 50.61 2 76.48 82.88 163.88 323.19 0.00 1 0.00 1 0 25 4.828e-01 1.216e-02 1.496e-01 2.314e-03 6.177991e-01 1.264064e-03 7.041802e-03 -6.000000e+00 2.932292e-01 231.80 -2.00 3.51 -2.00 320.31 0.00e+00 3.357974e-03 4.833565e-04 3.096168e-04 -6.000000e+00 1.330324e-02 290.29 -2.00 20.00 -2.00 319.57 0.00e+00 4.172 0.001 302.00 328.00 3 2.4047e+00 3.8946e-03 5.3212e-02 -6.0000e+00 7.3380e-01 7.7151e-02 4.9137e-03 3.3171e-02 -6.0000e+00 7.9243e-01 -6.9133e-02 4.2954e-03 1.6725e-02 -6.0000e+00 4.7081e-01 2.0909e-02 2.1527e-03 6.7737e-03 -6.0000e+00 1.9887e-01 3.5969e-04 -1.9305e-04 6.7527e-05 6.9087e-05 -6.0000e+00 1.4769e-02 1.5328e-02 0.0000e+00 12 9 8 11 4 0 57.67 22.64 0.31 0.01533 0.01388 51 10 1 5 0 992.210 26.21 19.97 22.64 27.68 38.0 1068.80 -147660 900000 -174628 177327 -88590 -37854 900000 258347 -55985 -115320 -68282 -121960 -16249 119569 29713 -66248 -50707 134402 87964 -26246 8355 12448 -40607 -1016 -21735 244450 -23842 -2507 -38841 10989 4968 4316 -7368 913 43921 -11571 -6393 4412 14252 -7731 4834 -10170 1270 -1714 14242 -5094 9594 6361 6991 4240 -148 107 7346 9690 1655 6527 1775 3976 372 1585 5537 1005 -1910 1875 -1135 4377 554 471 2196 89 1256 1211 -1932 2413 -2135 1607 2141 785 -1353 -1441 886 -1968 -1233 -2219 -685 -2119 -1408 -1757 -134 -96 142 1054 1847 716 733 -637 153 -438 -742 -268 -614 392 1115 327 -1011 -609 -1138 -168 605 129 -793 -195 104 -218 417 890 1336 260 -192 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