File name: Pandora55s1_QueensNY_20230821_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120731.2Z 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_20230821_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: 20230821 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 --------------------------------------------------------------------------------------- SS 20230821T111636.3Z 8633.469865 70 1 49.99 2 78.74 83.64 131.38 62.11 0.00 1 0.00 1 0 25 5.317e-01 2.929e-02 1.524e-01 4.875e-03 5.939568e-01 2.720628e-03 7.344009e-03 -6.000000e+00 3.250468e-01 231.33 -2.00 3.51 -2.00 320.73 0.00e+00 1.090701e-02 1.141308e-03 2.962721e-03 -6.000000e+00 1.535083e-02 289.88 -2.00 20.00 -2.00 320.03 0.00e+00 4.943 0.002 302.00 328.00 3 3.0565e+00 8.7513e-03 5.8918e-02 -6.0000e+00 8.1445e-01 2.6199e-01 1.0959e-02 3.2252e-02 -6.0000e+00 8.8288e-01 -3.8485e-01 8.7579e-03 2.0169e-02 -6.0000e+00 5.2433e-01 1.6331e-01 4.3026e-03 1.0303e-02 -6.0000e+00 2.1792e-01 9.1628e-05 -1.7169e-03 1.4813e-04 1.5461e-04 -6.0000e+00 1.6248e-02 4.0164e-03 0.0000e+00 12 9 8 11 32 0 99.72 19.25 0.38 0.00402 -0.00888 22 4 1 5 0 2271.930 25.90 19.97 19.25 29.77 36.2 1077.39 -167272 -125392 900000 -175051 -60621 83288 -58625 900000 354334 -51574 -107317 -105122 -128912 -82312 900000 66698 -58207 27781 900000 900000 900000 65958 104507 -59097 1278 -7863 900000 -3222 -21824 -47435 16003 43408 26818 -37837 41884 219801 225 -9034 38825 52990 1390 43983 -5488 16631 8718 54902 347 51284 26373 42722 5306 8474 -2702 19706 33092 13187 32207 10225 26258 993 10647 20630 5717 -5081 14328 -8109 19429 166 3879 6492 -3201 6908 8328 -2216 -3644 967 4489 11911 -710 -5281 -4009 6481 559 -1040 -5982 -1768 -5208 -2813 -4811 -812 -2225 -757 -89 32 -14 -5353 -3517 -783 -1576 -622 -1256 -1163 738 1885 -366 -2790 -1531 -2052 603 2663 941 -2742 328 48 -965 178 745 3126 378 387 -2080 546 1850 3584 625 350 509 1205 934 -85 1855 1300 2306 1173 585 -1065 494 -270 -262 -1738 -1139 -992 -81 -515 -7206 -4329 900000 -10457 -1161 396 -1000 900000 1683 -948 -3415 -3508 -6350 -3299 900000 991 -3188 748 900000 900000 900000 1437 1561 -4152 53 -362 900000 -142 -1136 -3251 676 1666 1395 -3918 2097 1988 16 -793 2540 3536 168 3893 -814 2095 1209 5104 55 5155 3441 4994 935 1581 -608 3880 6101 3020 6345 2477 5420 255 2529 4698 1649 -1795 4606 -3291 6025 61 1414 2538 -1513 3203 3921 -1125 -1779 420 1740 4115 -282 -2416 -2092 3502 352 -712 -4506 -1360 -4338 -2398 -4266 -695 -1869 -598 -66 23 -11 -4514 -3278 -803 -1791 -746 -1520 -1344 781 1878 -373 -3040 -1736 -2442 742 3459 1340 -4280 520 77 -1510 267 1079 4473 569 608 -3436 889 2927 5467 951 519 733 1690 1342 -131 3085 2316 4267 2264 1180 -2263 1078 -604 -593 -3987 -2555 -2154 -167 -1048 SS 20230821T113113.2Z 8633.480013 79 1 26.53 2 75.99 85.97 129.03 65.46 0.00 1 0.00 1 0 25 2.616e-01 1.332e-02 6.989e-02 3.782e-03 5.028962e-01 2.027273e-03 5.846216e-03 -6.000000e+00 1.583606e-01 231.33 -2.00 3.51 -2.00 319.86 0.00e+00 4.328527e-03 6.563082e-04 3.804629e-04 -6.000000e+00 7.160947e-03 289.88 -2.00 20.00 -2.00 319.08 0.00e+00 4.036 0.001 302.00 328.00 3 3.0693e+00 5.9696e-03 4.8316e-02 -6.0000e+00 3.9593e-01 4.6176e-02 7.1957e-03 2.6886e-02 -6.0000e+00 4.2751e-01 -6.4842e-02 5.6863e-03 1.3758e-02 -6.0000e+00 2.5442e-01 2.2910e-02 2.9143e-03 5.9139e-03 -6.0000e+00 1.0684e-01 2.4669e-04 -7.9871e-04 1.1483e-04 6.3045e-05 -6.0000e+00 7.9350e-03 2.6923e-03 0.0000e+00 12 9 9 12 1 1 99.40 19.27 0.28 0.00269 -0.00331 17 6 1 5 0 1464.330 25.90 20.01 19.27 30.16 36.1 1079.61 -111862 -99085 900000 -112098 -22925 43715 -53286 900000 -44905 -40780 -76720 -33068 -62270 -43306 88835 -5391 -40501 -13988 117050 50091 43008 7091 7731 -29695 -15087 -7336 67951 -3358 -19995 -15778 -2193 15469 5630 -17547 -320 -3384 -5530 -2654 5918 10381 -2641 5689 -4252 -2745 3079 5022 -2464 7487 7458 7951 2714 87 -2981 8866 5232 3295 3362 3279 3294 600 777 5509 2811 -2037 3700 -4919 3531 -90 1324 733 -606 1536 3211 -1404 -1853 -60 685 4221 54 -1796 -2792 1844 -893 -961 -3314 -447 -1705 -1115 -1619 -883 -360 -408 661 787 1188 -677 -784 765 -162 -613 -432 -275 -434 1978 -73 -1175 -1301 -654 -141 -21 508 -421 305 -102 -120 130 566 1418 315 -351 -655 -289 606 969 152 39 307 922 1087 384 319 688 880 580 326 -720 164 27 -590 -893 -495 -646 40 272 -3290 -3037 900000 -4248 -360 348 -1086 900000 -1033 -970 -2677 -822 -2353 -1682 1225 -211 -2477 -729 1938 1643 1564 366 403 -2293 -1084 -518 2440 -232 -1588 -1225 -163 1120 509 -2131 -34 -360 -619 -325 792 1570 -510 1110 -956 -632 687 1123 -598 1685 1708 1881 710 25 -963 2770 1790 1188 1254 1234 1239 228 297 2120 1204 -993 1833 -2657 1735 -45 668 404 -372 989 2096 -941 -1196 -36 376 2142 29 -1051 -1853 1310 -708 -811 -2984 -414 -1669 -1130 -1681 -910 -360 -389 591 681 1040 -644 -819 869 -200 -796 -560 -342 -508 2189 -83 -1403 -1626 -844 -190 -30 760 -667 493 -164 -188 196 828 2060 474 -551 -1062 -471 972 1518 233 58 448 1309 1565 587 521 1179 1560 1058 615 -1421 333 56 -1238 -1884 -1027 -1305 78 523 SS 20230821T114115.9Z 8633.486990 82 1 50.48 2 74.09 87.58 127.38 67.65 0.00 1 0.00 1 0 25 9.697e-02 6.654e-03 2.143e-02 1.371e-03 4.596475e-01 7.254164e-04 5.378142e-03 -6.000000e+00 5.829939e-02 231.33 -2.00 3.51 -2.00 319.48 0.00e+00 1.259257e-03 2.059308e-04 4.001064e-04 -6.000000e+00 2.622894e-03 289.88 -2.00 20.00 -2.00 318.67 0.00e+00 3.583 0.001 302.00 328.00 3 2.2519e+00 2.0795e-03 4.3364e-02 -6.0000e+00 1.4560e-01 -1.0992e-03 2.4589e-03 2.4694e-02 -6.0000e+00 1.5713e-01 -3.3621e-03 1.8637e-03 1.1859e-02 -6.0000e+00 9.3837e-02 -5.5548e-03 9.6662e-04 3.6739e-03 -6.0000e+00 3.9452e-02 9.1753e-04 -7.2253e-04 4.1872e-05 4.1196e-05 -6.0000e+00 2.8965e-03 2.0185e-03 0.0000e+00 11 8 0 10 0 0 99.79 19.27 0.26 0.00202 -0.00341 174 33 1 5 0 290.050 26.00 19.98 19.27 31.02 36.1 1084.76 -45845 -41511 56585 -40464 -11555 -21449 -10334 15877 -8184 -15617 -31511 -26069 -16667 -16339 10381 -3800 -9889 -5925 9206 5976 1844 2408 1686 -3668 -2418 -3303 6944 -3542 -4872 -6699 -924 3360 1041 -7182 -489 4271 -1578 -1996 1483 177 -2234 -881 -2814 -1420 -1505 2002 -2058 1093 874 1849 1060 410 222 3070 2177 1010 1440 -124 902 -84 1671 2112 1169 -488 461 -861 1155 755 1644 1769 -297 45 -337 -713 -287 -16 341 1153 987 -144 -563 -287 -1245 -1198 -1333 -926 -828 -466 -642 -467 80 398 614 1600 1415 917 597 753 -289 -565 -498 -607 -160 847 -10 -1050 -483 -927 121 223 19 -438 -161 62 36 435 838 980 424 -256 -976 -461 -237 -55 -100 -24 451 1288 966 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