File name: Pandora55s1_QueensNY_20230528_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113902.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230528_L1_smca1c18d20230426p1-8.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: 20230528 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 --------------------------------------------------------------------------------------- SU 20230528T112757.2Z 8548.477745 339 1 50.21 2 69.69 78.70 130.75 353.69 0.00 1 0.00 1 0 17 5.775e-01 7.618e-02 3.104e-02 2.918e-03 3.798278e-01 1.530622e-03 4.912720e-03 -6.000000e+00 3.500301e-01 231.87 -2.00 3.51 -2.00 318.66 0.00e+00 4.140142e-02 3.289368e-04 1.206731e-03 -6.000000e+00 1.548516e-02 284.93 -2.00 20.00 -2.00 317.95 0.00e+00 2.850 0.000 302.00 328.00 3 4.3849e+00 4.1898e-03 3.8482e-02 -6.0000e+00 8.7784e-01 4.0382e-01 4.6907e-03 4.6896e-02 -6.0000e+00 9.4852e-01 -5.9299e-01 2.8600e-03 2.0033e-02 -6.0000e+00 5.6249e-01 3.0398e-01 1.4955e-03 3.1071e-02 -6.0000e+00 2.3461e-01 1.9560e-04 -1.5607e-03 8.5086e-05 3.4547e-04 -6.0000e+00 1.7526e-02 7.0052e-03 0.0000e+00 12 8 8 10 0 0 45.91 22.69 0.23 0.00701 -0.00472 13 2 1 5 0 3861.540 26.00 20.01 22.69 27.45 35.7 1098.39 144589 145928 900000 153626 213765 294634 148837 900000 112895 83636 47421 50267 45749 84012 162370 112887 97089 -94101 165970 139353 147833 107123 97437 48468 47318 21690 72160 18879 28514 36574 50514 70151 61085 55361 59123 76996 40456 31183 31505 23613 6495 9686 -1628 6236 13082 27206 21470 34787 32907 33408 24767 20133 15857 22090 14105 6114 2211 -6137 -7207 -7634 -2650 5651 5523 3668 9023 3410 11205 4243 4504 1335 -3632 -2656 -3540 -8618 -4363 -8390 -6447 -3786 -5249 -3319 -3648 1187 -3030 -3711 -7234 -6078 -7869 -5804 -6293 -3995 -3834 -3968 -3539 -4683 -5237 -4325 -3728 -1287 182 -70 1699 1525 1566 2054 -9 -1474 -1256 -1531 589 2342 1380 411 1164 144 -728 -105 759 2178 1735 1663 847 2436 3954 4148 2534 2105 2209 3204 2579 1927 2987 2792 2843 1746 1457 -428 -136 -1067 -1900 -2494 -2319 -2555 -2519 -3450 6676 8011 900000 8335 5939 3256 5344 900000 4344 3772 2733 2842 3263 5613 6855 9268 10486 -57673 10813 11965 11573 11551 10338 7066 6109 3188 6314 2690 3871 5057 7098 9740 10486 10602 10764 11179 7908 6856 7411 6356 2116 3195 -616 2338 4894 9561 8254 12279 11981 12243 9963 8760 7456 10133 6946 3146 1143 -3275 -3802 -4063 -1413 3040 3272 2407 6010 2383 7096 2721 2868 916 -2780 -2115 -2864 -7116 -3343 -6242 -4398 -2408 -3422 -2307 -2843 979 -2757 -3545 -7323 -6350 -8686 -6541 -7270 -4555 -4272 -4222 -3523 -4489 -5047 -4399 -4133 -1541 233 -94 2254 1942 1882 2365 -10 -1823 -1616 -2044 808 3331 2078 649 1856 228 -1119 -155 1073 3067 2520 2520 1335 3843 6122 6294 3787 3062 3119 4393 3585 2813 4578 4465 4665 2930 2512 -769 -251 -2007 -3627 -4786 -4383 -4721 -4512 -6096 SU 20230528T113043.9Z 8548.479674 342 1 51.54 2 69.17 79.11 130.81 354.55 0.00 1 0.00 1 0 25 2.403e-01 1.420e-02 6.204e-02 2.753e-03 4.012278e-01 1.449572e-03 4.713272e-03 -6.000000e+00 1.446999e-01 231.87 -2.00 3.51 -2.00 318.71 0.00e+00 1.499137e-03 3.190674e-04 1.522080e-04 -6.000000e+00 6.366103e-03 284.94 -2.00 20.00 -2.00 317.95 0.00e+00 2.784 0.000 302.00 328.00 3 4.5167e+00 3.9891e-03 3.5123e-02 -6.0000e+00 3.6249e-01 2.6583e-02 4.5641e-03 2.1299e-02 -6.0000e+00 3.9141e-01 -1.4890e-02 3.1290e-03 1.0348e-02 -6.0000e+00 2.3293e-01 6.8126e-03 1.6167e-03 3.2076e-03 -6.0000e+00 9.7283e-02 2.1319e-04 -5.1518e-04 8.4598e-05 3.6276e-05 -6.0000e+00 7.1787e-03 4.0448e-03 0.0000e+00 12 9 8 11 32 0 5.79 22.69 0.21 0.00404 0.00017 14 3 1 5 0 3680.920 26.00 20.01 22.69 27.37 35.6 1097.98 -43589 -42195 -21908 -48239 11881 61045 -5080 242805 10386 3356 -22575 -24678 -25879 18756 -4787 -758 -21316 1514 37358 23505 31356 8733 8874 -18587 113 -6104 48195 838 -12005 -4551 -2017 8838 844 -8279 -197 20110 -4242 -8683 5022 -1267 -4281 3846 -4406 -4261 -1071 6518 -4216 5938 2169 -3065 3212 -2534 -3901 5747 456 1493 5969 1331 3058 1595 990 3092 448 -2509 2201 1187 2922 -2067 1679 839 276 740 497 -2397 2170 -839 387 2248 -95 -1630 -1172 1294 -1311 -1107 -3171 -750 -1786 -841 -1525 182 -619 -575 797 1012 183 329 -108 -104 -49 -901 -298 -510 -412 1925 765 -305 -450 -1563 346 1567 652 -503 -58 184 -721 124 527 1402 236 -147 -1395 -283 1053 -109 157 -138 74 1002 418 -47 825 772 636 478 669 -143 319 236 -898 -817 -372 -603 -175 -5 -2051 -2244 -1027 -2872 381 1177 -186 966 405 150 -1340 -1566 -1858 1047 -391 -68 -2550 156 2941 2209 2834 989 1015 -2867 16 -940 4595 122 -1897 -665 -302 1331 152 -1723 -38 3183 -862 -2048 1231 -382 -1484 1338 -1717 -1702 -421 2426 -1721 2221 841 -1260 1302 -1148 -1913 2758 239 799 3172 741 1671 872 548 1746 277 -1698 1502 818 1916 -1368 1095 593 213 601 414 -2027 1714 -639 271 1472 -63 -1168 -922 1094 -1216 -1079 -3270 -796 -1994 -966 -1789 210 -700 -621 807 983 180 340 -121 -126 -63 -1216 -399 -657 -502 2241 911 -381 -586 -2114 480 2246 987 -797 -94 292 -1112 183 750 1982 343 -223 -2201 -448 1638 -168 236 -201 105 1381 584 -69 1267 1235 1046 802 1155 -256 588 445 -1716 -1566 -702 -1113 -314 -9 SU 20230528T113333.8Z 8548.481641 345 1 51.94 2 68.64 79.53 130.86 355.44 0.00 1 0.00 1 0 25 2.223e-01 1.257e-02 5.427e-02 2.616e-03 3.974812e-01 1.382912e-03 4.647440e-03 -6.000000e+00 1.338477e-01 231.87 -2.00 3.51 -2.00 318.66 0.00e+00 9.098433e-05 2.994994e-04 3.919688e-04 -6.000000e+00 5.959509e-03 284.94 -2.00 20.00 -2.00 317.90 0.00e+00 2.720 0.000 302.00 328.00 3 4.5071e+00 3.7952e-03 3.4468e-02 -6.0000e+00 3.3532e-01 5.0393e-03 4.3485e-03 2.1052e-02 -6.0000e+00 3.6206e-01 2.0893e-02 3.0228e-03 1.0187e-02 -6.0000e+00 2.1559e-01 -9.0988e-03 1.5664e-03 2.8270e-03 -6.0000e+00 9.0349e-02 2.3082e-04 -3.2713e-04 8.0123e-05 3.2889e-05 -6.0000e+00 6.6446e-03 4.1381e-03 0.0000e+00 12 9 8 11 32 0 26.55 22.69 1.00 0.00414 0.00168 15 3 1 5 0 3461.660 26.00 19.99 22.69 27.33 35.7 1098.10 -33069 -44354 900000 -45858 31337 75821 39140 214953 21758 7596 -18358 -18971 -19711 -61 44454 3247 -17902 9412 35836 19280 26872 6091 4921 -16013 288 -1473 -835 -3016 -3835 -5645 1555 4741 1517 -8339 -1735 16244 -4119 -6329 3918 3867 -5515 1256 -6831 -3267 -2164 5294 -3911 4473 179 2664 208 80 -3938 4073 4376 859 3638 1059 2638 664 988 4447 1082 -2452 956 -4188 1958 -321 553 1687 -1216 437 817 -1931 1966 -675 1144 2593 457 -604 -1227 1192 -665 -1543 -2258 -473 -516 -739 -1440 57 -165 -111 1039 1028 880 1031 -317 570 -54 -1114 -1162 -78 -42 1664 818 -239 -275 -1148 10 -227 675 -926 124 183 -625 266 603 1179 31 64 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