File name: Pandora55s1_QueensNY_20230529_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113928.1Z 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_20230529_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: 20230529 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 20230529T114720.9Z 8549.491214 390 1 51.59 2 66.00 81.45 135.58 345.75 0.00 1 0.00 1 0 17 4.500e-01 6.818e-02 2.691e-02 2.621e-03 3.489352e-01 1.366294e-03 4.157838e-03 -6.000000e+00 2.709993e-01 231.93 -2.00 3.51 -2.00 318.15 0.00e+00 2.812539e-02 2.516610e-04 1.639531e-04 -6.000000e+00 1.192642e-02 285.04 -2.00 20.00 -2.00 317.42 0.00e+00 2.440 0.000 302.00 328.00 3 4.7159e+00 3.6841e-03 3.3356e-02 -6.0000e+00 6.7897e-01 2.6075e-01 4.1234e-03 3.6320e-02 -6.0000e+00 7.3312e-01 -3.7851e-01 2.4828e-03 1.4929e-02 -6.0000e+00 4.3628e-01 1.9758e-01 1.2683e-03 2.1671e-02 -6.0000e+00 1.8218e-01 2.3132e-04 -1.2822e-03 7.7764e-05 2.1408e-04 -6.0000e+00 1.3444e-02 4.9149e-03 0.0000e+00 12 8 8 10 0 0 23.21 22.68 0.41 0.00491 -0.00472 13 2 1 5 0 3967.670 26.00 20.00 22.68 28.30 35.5 1100.00 89033 84653 303018 87120 126007 151848 88883 172522 62705 56743 17950 13779 22236 51817 90801 64812 58524 -99516 100528 84037 90897 64793 58372 23791 23968 12576 38956 8755 12166 20696 29151 42461 40468 30752 33074 49052 21942 16783 19356 12570 767 3392 -5013 2124 5958 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-2708 -3127 -2124 -2641 -2867 -1798 -2213 -630 -62 -180 1716 1173 1057 2174 363 -1518 -1458 -2003 859 2330 2536 -139 1755 264 -173 316 1086 3036 1733 2334 933 2462 3776 4581 2467 1687 1965 3410 2314 1390 3877 3515 3438 1765 1399 -690 115 -1439 -2245 -3806 -2671 -3376 -3537 -4949 SU 20230529T115312.9Z 8549.495288 399 1 50.63 2 64.90 82.33 135.85 347.73 0.00 1 0.00 1 0 17 3.442e-01 5.670e-02 2.086e-02 2.588e-03 3.409837e-01 1.352257e-03 4.038605e-03 -6.000000e+00 2.072026e-01 231.93 -2.00 3.51 -2.00 318.02 0.00e+00 1.958014e-02 2.388470e-04 1.325000e-04 -6.000000e+00 9.121380e-03 285.04 -2.00 20.00 -2.00 317.27 0.00e+00 2.342 0.000 302.00 328.00 3 4.8194e+00 3.6376e-03 3.1163e-02 -6.0000e+00 5.1913e-01 1.8834e-01 4.0757e-03 2.8706e-02 -6.0000e+00 5.6060e-01 -2.5892e-01 2.4662e-03 1.2279e-02 -6.0000e+00 3.3360e-01 1.3451e-01 1.2501e-03 1.5512e-02 -6.0000e+00 1.3925e-01 2.4075e-04 -1.3922e-03 7.7795e-05 1.4802e-04 -6.0000e+00 1.0284e-02 7.2716e-03 0.0000e+00 12 8 8 10 0 0 26.48 22.68 0.24 0.00727 -0.00319 13 2 1 5 0 3893.750 26.00 19.98 22.68 28.22 35.4 1100.00 56995 50626 242222 52460 93199 114370 61995 139675 48622 32590 15386 8440 15108 35996 73873 47759 36860 -98104 72403 60369 69689 45676 44702 14177 18692 6544 33176 4099 5996 10606 17284 30629 26774 19482 23437 35411 14828 10616 12635 9130 -325 1407 -5150 -101 3383 10176 6555 15163 13086 14201 10941 7766 4946 11097 7358 2260 1615 -3555 -4664 -4027 -2192 3118 2062 376 4496 -268 4956 1576 2854 1081 -2167 -1088 -1325 -4699 -2263 -5184 -2251 -760 -3257 -2561 -2399 801 -1806 -2347 -4391 -2842 -4743 -2781 -3614 -1742 -1766 -1382 -1105 -993 -2101 -1903 -1453 -581 -34 -4 975 482 406 1619 555 -1069 -1030 -1078 313 1535 1160 -73 924 240 -208 197 763 1584 678 942 244 1083 1848 2486 1065 807 874 1664 1346 877 1879 2247 1610 1327 897 -359 88 -472 -895 -2104 -1294 -1523 -1497 -1996 3835 4190 3595 4474 4984 4498 3688 3957 3229 2480 1337 796 1529 3697 6533 6256 5863 -52295 9338 8987 9634 7702 7302 2924 3594 1373 5400 852 1221 2132 3537 6255 6277 5121 5907 7683 3846 3066 4014 3312 -138 619 -2477 -49 1622 4756 3198 6963 6114 6603 5347 4069 2776 6171 4308 1383 992 -2252 -2945 -2522 -1385 1987 1425 282 3420 -210 3605 1127 2024 820 -1810 -950 -1180 -4229 -1932 -4286 -1698 -538 -2341 -1944 -1998 710 -1739 -2373 -4664 -3112 -5487 -3282 -4367 -2078 -2059 -1538 -1154 -991 -2106 -1997 -1639 -707 -44 -5 1300 620 495 1899 664 -1345 -1348 -1458 435 2197 1742 -115 1458 375 -314 284 1062 2188 965 1394 375 1680 2833 3723 1572 1159 1219 2251 1834 1245 2789 3458 2541 2134 1480 -617 156 -849 -1629 -3865 -2341 -2700 -2580 -3394 SU 20230529T115728.9Z 8549.498251 405 1 49.25 2 64.09 82.98 136.02 349.18 0.00 1 0.00 1 0 25 7.592e-02 1.204e-02 1.211e-02 2.410e-03 3.446030e-01 1.268092e-03 4.077629e-03 -6.000000e+00 4.572358e-02 231.93 -2.00 3.51 -2.00 317.96 0.00e+00 -4.306029e-04 2.202405e-04 1.257328e-04 -6.000000e+00 2.011958e-03 285.04 -2.00 20.00 -2.00 317.18 0.00e+00 2.275 0.000 302.00 328.00 3 4.8284e+00 3.4151e-03 2.9223e-02 -6.0000e+00 1.1456e-01 1.6293e-02 3.8522e-03 1.8090e-02 -6.0000e+00 1.2369e-01 -1.0107e-02 2.4114e-03 8.7823e-03 -6.0000e+00 7.3607e-02 3.8516e-03 1.2096e-03 2.4060e-03 -6.0000e+00 3.0743e-02 2.7864e-04 -4.7237e-04 7.4358e-05 2.9244e-05 -6.0000e+00 2.2678e-03 3.7775e-03 0.0000e+00 12 9 8 11 32 0 73.97 22.69 0.22 0.00378 0.00023 14 3 1 5 0 3516.980 26.00 20.00 22.69 28.14 35.4 1100.00 -26040 -24816 15651 -32975 12294 21942 -2795 44071 9530 -6416 -14318 -17615 -9285 -2542 21876 -1529 -11195 -248 15487 12610 -407 2928 2745 -9209 655 -3975 20159 -811 -3864 -5163 1011 4051 -6 -7660 -1830 8415 -3282 -4262 385 -1677 -3026 1828 -3906 -1357 -886 3562 1097 3524 -485 2513 67 -1560 2027 3885 2445 1051 3699 -1215 1806 700 922 3386 863 -1573 681 -3279 2082 -1202 1401 1717 -1255 97 755 -930 1311 -424 495 2072 -858 -841 -1617 372 -982 -1173 -2223 -878 -1393 -622 -1181 -260 -185 -173 572 591 785 1125 12 29 -50 -1083 -386 -753 -275 1265 670 -307 -299 -848 455 995 -244 -694 377 218 -387 225 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