File name: Pandora55s1_QueensNY_20230805_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230806T091111.3Z 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_20230805_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: 20230805 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 20230805T110235.9Z 8617.460138 216 1 50.48 2 78.80 77.17 55.70 232.63 0.00 1 0.00 1 0 25 4.857e-01 2.353e-02 1.222e-01 3.678e-03 6.863963e-01 2.100691e-03 8.023098e-03 -6.000000e+00 2.989176e-01 232.16 -2.00 3.51 -2.00 320.95 0.00e+00 6.259822e-03 9.785848e-04 2.588908e-03 -6.000000e+00 1.450819e-02 290.06 -2.00 20.00 -2.00 320.29 0.00e+00 4.964 0.002 302.00 328.00 3 2.3515e+00 7.0597e-03 6.2258e-02 -6.0000e+00 7.5004e-01 2.2306e-01 9.3397e-03 3.8171e-02 -6.0000e+00 8.1240e-01 -3.3709e-01 8.2065e-03 2.1545e-02 -6.0000e+00 4.8106e-01 1.4400e-01 3.9139e-03 8.2673e-03 -6.0000e+00 2.0196e-01 1.6597e-04 -5.3250e-04 1.0939e-04 1.2135e-04 -6.0000e+00 1.5086e-02 1.0625e-02 0.0000e+00 12 9 8 11 4 0 91.60 22.64 0.61 0.01062 0.00662 38 7 1 5 0 1328.050 26.00 20.01 22.64 30.32 36.0 1086.03 -184278 900000 -200185 900000 900000 -117590 900000 -30336 -49073 -159183 -89949 -138115 -200786 900000 37585 -86137 -37258 900000 900000 900000 36808 82915 -79606 8208 3659 -42739 -2659 -8623 -55605 3552 65121 3824 -25594 20463 251104 -8927 -10215 41733 69322 3658 40302 -5913 10231 15238 44753 -2039 45540 26468 36077 9494 8043 -1704 36299 29201 12423 25141 9089 17789 8355 9898 17637 8447 -2625 12745 -7716 13880 -757 3416 6796 -1849 5598 5319 -2096 7565 -856 2854 7896 -256 -2622 -3630 4097 -1759 -379 -5104 -1348 -4536 -1522 -3539 -923 -1610 -1163 -627 1111 -1254 704 -2743 -1343 -1305 -1136 -1141 -1162 212 2135 -75 -1756 -834 -1869 -266 1527 202 -1712 -138 490 -801 640 611 2021 599 -157 -1002 112 1284 2124 325 23 359 1593 801 229 961 1085 1271 611 419 -197 -15 -116 -224 -1226 -816 -630 -135 -272 -4435 900000 -6262 900000 900000 -1500 900000 -196 -410 -4074 -1295 -3789 -12695 900000 375 -3287 -996 900000 900000 900000 584 846 -4023 191 94 -1740 -74 -251 -2627 108 1310 163 -1598 851 1095 -491 -637 1888 2862 321 2762 -662 1029 1495 3406 -245 3622 2624 3454 1256 1191 -305 4965 4583 2377 4451 1886 3383 1695 1986 3449 1983 -765 3543 -2683 3941 -245 1113 2378 -777 2382 2326 -964 3031 -342 1012 2562 -93 -1080 -1752 2106 -1061 -244 -3620 -975 -3548 -1209 -2920 -744 -1268 -869 -443 758 -903 548 -2480 -1352 -1449 -1340 -1357 -1321 222 2072 -74 -1837 -910 -2150 -320 1944 282 -2609 -217 776 -1256 959 894 2940 905 -248 -1637 182 2019 3228 488 33 512 2208 1147 355 1617 1953 2395 1203 861 -424 -33 -262 -513 -2826 -1838 -1368 -281 -553 SS 20230805T110845.9Z 8617.464420 219 1 50.38 2 77.66 78.13 56.59 234.10 0.00 1 0.00 1 0 25 5.974e-01 1.352e-02 1.601e-01 2.403e-03 6.452462e-01 1.327983e-03 7.326792e-03 -6.000000e+00 3.635474e-01 232.16 -2.00 3.51 -2.00 320.57 0.00e+00 3.459927e-03 5.519589e-04 4.180564e-04 -6.000000e+00 1.644447e-02 290.06 -2.00 20.00 -2.00 319.87 0.00e+00 4.540 0.002 302.00 328.00 3 2.0561e+00 4.2220e-03 5.7038e-02 -6.0000e+00 9.1061e-01 8.6243e-02 5.4528e-03 3.4675e-02 -6.0000e+00 9.8289e-01 -1.0834e-01 4.8817e-03 1.7899e-02 -6.0000e+00 5.8375e-01 3.9225e-02 2.4012e-03 7.1837e-03 -6.0000e+00 2.4657e-01 3.5340e-04 -2.8045e-04 6.9812e-05 7.7475e-05 -6.0000e+00 1.8273e-02 1.0261e-02 0.0000e+00 12 9 8 11 12 0 87.81 22.65 0.32 0.01026 0.00815 64 12 1 5 0 787.080 26.00 20.02 22.65 30.25 35.9 1085.30 -177915 900000 -184754 16455 -38188 -105906 900000 -29324 -61802 -153715 -88888 -112288 -153800 387564 -12105 -82927 -25197 151754 106400 80454 3784 18978 -44612 -6537 -14877 345723 -8532 -22246 -38373 395 2166 2759 -22234 9164 45070 -7547 -6184 3238 14249 -4143 8668 -7897 45 983 13771 -3018 10875 8310 10662 976 2679 -1301 11344 10652 3622 8438 2107 5369 2955 3092 6078 3289 -1050 4249 -3287 5549 -904 2165 2815 -1432 1362 1888 -1600 3005 -1229 1062 2133 828 -2156 -1683 1355 -1163 -1202 -2340 -1154 -1829 -422 -1593 -586 -685 -108 -92 891 75 532 -324 197 -510 -746 -812 -581 678 1968 109 -1325 -557 -1450 -529 828 196 -1040 -111 -301 -500 556 806 1470 535 -200 -994 -481 682 839 165 36 317 1582 1026 2 529 315 588 442 540 -333 43 62 -504 -799 -471 -229 -199 136 -3481 900000 -4388 55 -208 -1148 900000 -191 -607 -3859 -1336 -2514 -6397 908 -204 -3137 -619 756 884 896 89 398 -1799 -200 -526 810 -295 -868 -1797 14 92 136 -1532 488 1703 -480 -437 251 1187 -471 968 -1093 6 134 1709 -446 1455 1182 1566 169 503 -279 2360 2394 913 2117 570 1407 779 815 1631 992 -366 1541 -1316 2037 -351 852 1211 -710 710 1006 -868 1493 -589 462 880 355 -1044 -931 828 -801 -891 -1843 -947 -1586 -375 -1461 -531 -604 -90 -73 687 60 462 -316 212 -604 -934 -1023 -700 755 2070 116 -1490 -652 -1777 -678 1117 287 -1631 -180 -490 -798 853 1202 2185 822 -321 -1645 -795 1096 1315 254 54 462 2246 1494 3 893 566 1102 856 1087 -701 93 137 -1129 -1796 -1039 -488 -407 274 SS 20230805T111413.4Z 8617.468210 222 1 50.36 2 76.64 78.97 57.40 235.36 0.00 1 0.00 1 0 25 3.448e-01 9.399e-03 9.881e-02 1.665e-03 6.062712e-01 9.078343e-04 6.900805e-03 -6.000000e+00 2.082432e-01 232.16 -2.00 3.51 -2.00 320.26 0.00e+00 2.819524e-03 3.400321e-04 3.088545e-04 -6.000000e+00 9.484695e-03 290.06 -2.00 20.00 -2.00 319.52 0.00e+00 4.220 0.001 302.00 328.00 3 1.7433e+00 2.7782e-03 5.3205e-02 -6.0000e+00 5.2113e-01 4.9734e-02 3.4898e-03 3.2462e-02 -6.0000e+00 5.6206e-01 -5.0080e-02 3.0442e-03 1.6368e-02 -6.0000e+00 3.3537e-01 1.1841e-02 1.5303e-03 6.2154e-03 -6.0000e+00 1.4231e-01 6.8537e-04 -7.7022e-05 4.8685e-05 6.5251e-05 -6.0000e+00 1.0373e-02 9.5921e-03 0.0000e+00 12 9 8 11 4 0 35.69 22.64 0.32 0.00959 0.00901 107 20 1 5 0 470.580 26.00 19.99 22.64 30.10 35.9 1084.64 -142979 900000 -146194 -279 -87996 -43642 253361 -43318 -19154 -97867 -50027 -97275 -88334 -2286 16928 -51022 -6644 29484 18712 17976 -1578 6453 -39136 6131 -23059 60461 -19506 -6426 -35097 -471 741 -1131 -12051 -1212 25308 -7241 -1241 -2340 8670 -7004 4353 -6204 128 -1063 6131 -1139 3275 3947 4473 2688 -334 860 4448 6767 1228 2614 1195 1738 1335 690 4907 2078 1006 1017 -11 2325 1121 1339 2298 -730 372 440 -1593 1004 -1085 552 1256 1195 -1273 -514 129 -1701 -862 -1829 -932 -1859 -525 -1182 -217 -424 661 653 1515 769 992 640 159 -250 -866 -303 -784 293 909 58 -787 -542 -790 -439 399 -236 -450 -351 54 -313 774 827 1131 598 -85 -830 -373 24 -23 333 -144 442 1274 913 -30 523 20 301 243 305 -232 -79 96 -413 -536 -281 -95 -95 128 -2693 900000 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