File name: Pandora55s1_QueensNY_20230905_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T121903.5Z 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_20230905_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: 20230905 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 20230905T112022.9Z 8648.472488 228 1 51.85 2 80.60 89.09 31.22 239.96 0.00 1 0.00 1 0 25 6.763e-01 4.606e-02 2.237e-01 7.238e-03 7.027755e-01 4.166950e-03 8.041257e-03 -6.000000e+00 4.159455e-01 230.09 -2.00 3.51 -2.00 321.27 0.00e+00 -1.365304e-03 1.966235e-03 1.695810e-03 -6.000000e+00 2.099114e-02 288.75 -2.00 20.00 -2.00 320.64 0.00e+00 5.819 0.004 302.00 328.00 3 2.7529e+00 1.4340e-02 6.9217e-02 -6.0000e+00 1.0402e+00 6.5544e-01 1.8067e-02 3.8492e-02 -6.0000e+00 1.1322e+00 -1.0238e+00 1.2813e-02 1.8738e-02 -6.0000e+00 6.6787e-01 4.4558e-01 6.0699e-03 5.1674e-03 -6.0000e+00 2.7662e-01 4.7949e-05 -2.8978e-03 2.1910e-04 7.9585e-05 -6.0000e+00 2.1039e-02 -6.1419e-04 0.0000e+00 12 9 8 11 32 0 36.20 19.50 0.53 -0.00061 -0.02239 18 3 1 5 0 2879.950 25.90 19.98 19.50 31.51 36.4 1082.33 -58256 -64266 108579 -89999 900000 900000 -2180 900000 221398 132992 -54828 900000 -34651 -137860 900000 184825 -10999 237756 900000 900000 900000 120940 51917 -37950 122072 16538 900000 47449 10330 9634 46021 900000 68968 -4854 57866 900000 31244 24646 220619 295009 36613 152735 30660 61651 71142 182166 23726 145366 110599 121238 33898 33807 6038 165183 46974 58822 92533 65707 3777 38371 42998 66632 25169 52046 41146 -18967 49422 669 18489 7255 -1399 19681 27215 1053 8291 2308 13456 33389 -4003 -7146 -14793 16690 1516 1522 -11602 -1320 -7997 -2431 -8412 539 -2052 -4340 1307 -2135 -4982 -2587 -7207 -5740 -2619 -3015 -2396 -3272 -260 4300 275 -132 -1503 -3570 -628 5805 858 -5534 530 -2273 -1749 -595 1262 4458 340 -153 -2414 1968 3945 7598 647 -1006 1331 1819 88 -578 1947 3198 1439 2292 1438 -898 1295 448 115 -1960 -1313 -2017 -221 -2274 -2816 -3647 1209 -6341 900000 900000 -52 900000 1560 1013 -2583 900000 -1547 -19007 900000 1577 -671 1675 900000 900000 900000 2241 1823 -3186 2369 910 900000 1855 539 492 1764 900000 2731 -415 2743 900000 1813 1657 2671 2078 3391 5132 3369 5111 5339 4722 2713 5295 5674 5836 3936 4264 1078 7148 6547 7672 9087 8350 839 5962 6230 7916 4769 8497 8102 -6730 9202 194 4726 2263 -526 6601 8762 423 2935 794 3798 7434 -1290 -2615 -6734 6556 768 837 -7622 -839 -5687 -1722 -6417 378 -1431 -2937 795 -1312 -3251 -1822 -6006 -5368 -2665 -3311 -2655 -3489 -251 3744 247 -125 -1519 -3858 -705 6682 1131 -8357 806 -3594 -2712 -885 1800 6222 504 -238 -3961 3126 6038 10960 963 -1475 1864 2486 125 -897 3261 5742 2778 4579 3030 -2020 2982 1063 276 -4779 -3118 -4617 -475 -4813 SS 20230905T112957.0Z 8648.479132 233 1 50.62 2 78.78 90.65 32.76 242.87 0.00 1 0.00 1 0 25 5.518e-01 2.056e-02 1.442e-01 2.992e-03 6.264057e-01 1.641462e-03 7.428323e-03 -6.000000e+00 3.327259e-01 230.09 -2.00 3.51 -2.00 320.68 0.00e+00 8.736838e-03 6.896653e-04 2.032465e-03 -6.000000e+00 1.503776e-02 288.74 -2.00 20.00 -2.00 320.00 0.00e+00 4.961 0.002 302.00 328.00 3 2.1703e+00 5.2466e-03 5.9615e-02 -6.0000e+00 8.2961e-01 2.1742e-01 6.6344e-03 3.3386e-02 -6.0000e+00 8.9678e-01 -3.1345e-01 5.5591e-03 1.9908e-02 -6.0000e+00 5.3412e-01 1.3178e-01 2.7338e-03 9.9551e-03 -6.0000e+00 2.2467e-01 2.1342e-04 -1.2822e-03 8.7827e-05 1.3201e-04 -6.0000e+00 1.6782e-02 9.7191e-04 0.0000e+00 12 8 8 10 0 0 -12.54 19.50 0.22 0.00097 -0.00866 53 10 1 5 0 954.890 25.90 19.98 19.50 32.00 36.5 1085.01 -168339 -134134 900000 -164895 7939 17044 -84029 900000 -19072 -82501 -121720 -101057 -94401 -149284 900000 1393 -47685 -107224 308039 88391 73557 24301 7676 -36888 1820 -14440 353210 -4969 -14044 -44235 -4368 26700 21949 -12454 17496 70890 10009 -5180 24948 24460 4345 15670 -1939 8393 7608 28947 118 21399 19736 21622 9458 9553 -469 21192 20622 9007 12881 6675 11920 3052 6133 10196 7788 -284 7894 -4097 8569 1094 3944 4221 -567 3551 2866 -1114 2268 -1642 362 3536 -871 -3283 -2587 2002 -1395 -1973 -3710 -1955 -2625 -2461 -3011 -963 -1134 -1303 -420 59 -912 -80 -1764 -565 -887 -866 -674 -900 -8 1003 129 -1336 -835 -1589 18 646 31 -1390 153 -86 -444 84 1138 1678 693 -41 -1007 441 1230 1818 367 411 614 1925 1191 51 1076 653 1087 556 662 -581 -193 76 -356 -1035 -675 -460 -383 -448 -5001 -3479 900000 -6255 57 104 -1336 900000 -189 -1562 -3456 -2558 -2675 -8840 900000 31 -1916 -8253 899 1278 1255 659 242 -1808 65 -624 1030 -198 -609 -2621 -202 1088 1088 -929 1015 2454 621 -409 1753 2024 489 1734 -267 1098 1027 3298 18 2743 2656 3000 1570 1736 -102 4095 4253 2144 3055 1687 2845 779 1532 2577 2217 -96 2717 -1622 2993 405 1480 1733 -269 1742 1454 -576 1082 -753 150 1362 -360 -1532 -1380 1164 -925 -1409 -2836 -1550 -2204 -2147 -2691 -846 -968 -1063 -322 44 -705 -67 -1679 -596 -1031 -1065 -831 -1066 -9 1036 134 -1475 -964 -1923 23 866 45 -2177 246 -139 -704 129 1680 2479 1064 -66 -1672 727 1976 2843 566 617 896 2732 1741 81 1825 1184 2054 1090 1348 -1241 -427 171 -810 -2367 -1514 -998 -797 -915 SS 20230905T113603.4Z 8648.483372 236 1 50.55 2 77.63 91.65 33.76 244.62 0.00 1 0.00 1 0 33 3.010e-01 1.129e-02 6.247e-02 1.884e-03 5.861282e-01 1.019994e-03 6.751052e-03 -6.000000e+00 1.814660e-01 230.09 -2.00 3.51 -2.00 320.31 0.00e+00 4.330592e-03 3.870588e-04 3.714523e-04 -6.000000e+00 8.200890e-03 288.74 -2.00 20.00 -2.00 319.60 0.00e+00 4.532 0.002 302.00 328.00 3 1.8415e+00 3.1295e-03 5.4966e-02 -6.0000e+00 4.5249e-01 5.8978e-02 3.9151e-03 3.1851e-02 -6.0000e+00 4.8907e-01 -7.7008e-02 3.3945e-03 1.6011e-02 -6.0000e+00 2.9116e-01 2.5460e-02 1.7064e-03 7.1661e-03 -6.0000e+00 1.2248e-01 4.7853e-04 -1.0712e-03 5.5864e-05 7.1024e-05 -6.0000e+00 9.1265e-03 5.3451e-04 0.0000e+00 12 8 8 10 0 0 -17.76 19.51 0.24 0.00053 -0.00752 94 18 1 5 0 537.690 26.00 19.98 19.51 32.28 36.4 1086.69 -148907 -93694 900000 -112612 -69933 46191 -75541 900000 -42392 -55159 -82003 -80238 -50388 -105275 104854 -25709 -21837 -95413 78751 31348 27692 15826 331 -21893 -14343 -9201 42250 5050 -16970 -21299 -9894 12050 3758 -12053 1039 21284 -1285 -4707 12119 5621 1352 2477 -3420 525 -573 10001 -1127 7722 2459 8682 165 2922 -478 8457 4700 2756 2899 1647 3589 -184 2362 2820 2934 -839 3359 -1784 4687 469 2438 1347 -579 814 576 -1237 22 -52 -214 2109 265 -633 -1580 278 -974 -1551 -2382 -1272 -1527 -1388 -979 -779 122 -220 487 965 651 971 157 615 -262 -348 -414 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