File name: Pandora55s1_QueensNY_20241006_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241007T045200.0Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241006_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: 20241006 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 20241006T112954.2Z 9045.479100 55 1 50.06 2 84.79 101.74 124.75 91.64 0.00 1 0.00 1 0 25 1.016e+00 1.147e-01 3.365e-01 2.897e-02 9.688975e-01 1.874807e-02 1.319990e-02 -6.000000e+00 6.651731e-01 226.86 -2.00 3.51 -2.00 321.51 0.00e+00 -3.343478e-02 4.468843e-03 4.990735e-03 -6.000000e+00 3.286055e-02 285.32 -2.00 20.00 -2.00 320.67 0.00e+00 9.511 0.016 302.00 328.00 3 4.6197e-01 5.7187e-02 1.0651e-01 -6.0000e+00 1.6630e+00 2.3531e+00 6.7100e-02 4.9167e-02 -6.0000e+00 1.8305e+00 -2.3358e+00 3.5169e-02 2.6055e-02 -6.0000e+00 1.0713e+00 6.7865e-01 1.9562e-02 2.0573e-02 -6.0000e+00 4.3541e-01 7.4916e-06 -2.2673e-04 8.8095e-04 4.9929e-04 -6.0000e+00 3.4618e-02 2.8555e-03 0.0000e+00 12 9 8 11 32 0 49.31 22.50 1.13 0.00286 0.00115 16 3 1 5 0 3127.880 26.21 20.00 22.50 19.85 37.4 1015.27 39348 54533 900000 -9026 171889 177698 24922 900000 167162 900000 -6380 900000 16058 522208 900000 152838 -16456 900000 900000 900000 208763 146901 900000 -64042 217990 46742 900000 42317 -15961 9500 44922 900000 33599 900000 57262 900000 -51562 12757 900000 900000 48017 900000 35147 75294 267931 900000 14317 120994 144076 900000 126527 83550 -53974 900000 900000 900000 900000 900000 900000 162274 -40330 900000 121148 -51706 900000 63523 900000 -15451 403873 360628 45886 183975 56623 -14766 900000 43325 900000 900000 21075 16346 -39856 -3884 42587 133519 -332 82117 26705 25970 -26869 41198 19636 -19620 63604 31591 18360 28981 5152 -6800 20280 13411 11268 4488 12764 64253 39225 28031 2302 -1429 2420 63761 23264 -22285 4035 -3478 -9784 -10647 10656 15417 -1014 -3025 -19418 -8206 19455 45544 -6391 6120 -9899 -1243 -9577 -6712 3668 -5669 6257 8429 1651 -1825 4732 -616 3395 -7035 -683 -2589 6937 1018 8694 9844 900000 -2224 5957 5112 3313 900000 7422 900000 -1697 900000 3435 14655 900000 8764 -4738 900000 900000 900000 5859 6342 900000 -23444 6118 7357 900000 5797 -3153 1270 4110 900000 3816 900000 4957 900000 -11618 1713 900000 900000 7436 900000 6295 8452 7519 900000 2093 5926 5525 900000 6289 6875 -18058 900000 900000 900000 900000 900000 900000 7194 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1.4476e-02 2.6446e-02 -6.0000e+00 6.6545e-01 3.4222e-01 6.4830e-03 1.5285e-02 -6.0000e+00 2.7503e-01 1.2379e-04 -2.4716e-03 1.2178e-04 1.4999e-04 -6.0000e+00 2.1324e-02 1.8201e-03 0.0000e+00 12 9 8 11 8 0 5.31 22.49 0.26 0.00182 -0.01675 85 16 1 5 0 593.010 26.21 20.01 22.49 20.90 37.5 1021.90 -162127 -239310 900000 -271296 900000 44019 900000 900000 900000 -230375 -225796 -112585 -158636 72505 900000 900000 -139017 900000 900000 900000 -111380 900000 4531 -85543 45488 -10492 900000 -44630 76331 -126349 900000 66818 134177 -27859 114917 900000 34452 -2602 122708 900000 10883 174091 -3026 64346 12611 900000 -2883 158570 66222 105975 44191 36222 18298 81044 97212 34584 74983 28722 64770 13770 9038 48547 19397 4205 29786 4932 34233 17615 8738 22452 4867 17421 15360 2476 18783 4175 13626 16764 5836 -1509 1336 6876 2271 -934 -675 -838 -4672 -2472 -5386 103 -3276 61 -1104 676 -3332 657 -3617 -1736 -2102 -1458 -1009 -2589 545 1279 962 -2761 -2079 -3767 -1498 154 -297 -3148 -599 -474 -1262 602 592 2190 63 353 -1618 -7 1835 2893 1077 1262 1202 2302 1670 -1041 905 1000 1778 867 666 -529 146 108 -427 -1065 -639 -302 -481 -565 -1404 -5253 900000 -8820 900000 185 900000 900000 900000 -4929 -4819 -904 -2462 304 900000 900000 -4513 900000 900000 900000 -3600 900000 47 -2169 345 -141 900000 -828 439 -5329 900000 660 837 -914 997 900000 635 -75 1256 900000 434 1621 -159 1886 609 900000 -169 2131 2262 2707 2204 2170 1442 3919 4368 2894 4490 2648 4191 1385 937 3663 2128 608 3823 848 4574 2799 1607 4067 1159 4000 3682 650 3967 919 2512 2919 1196 -381 393 2241 879 -407 -313 -411 -2495 -1351 -3074 56 -1766 30 -533 322 -1755 380 -2525 -1383 -1904 -1429 -1000 -2473 464 1003 744 -2296 -1818 -3521 -1478 165 -359 -4314 -863 -701 -1870 860 828 3049 93 539 -2560 -11 2692 4060 1495 1707 1593 2982 2272 -1606 1545 1872 3546 1837 1489 -1254 359 271 -1080 -2698 -1569 -708 -1066 -1211 SS 20241006T115413.0Z 9045.495984 61 1 50.50 2 80.32 105.86 120.37 95.37 0.00 1 0.00 1 0 25 6.069e-01 9.742e-03 1.152e-01 1.835e-03 7.611999e-01 1.029411e-03 8.606749e-03 -6.000000e+00 3.650323e-01 226.86 -2.00 3.51 -2.00 321.17 0.00e+00 4.406459e-03 5.188033e-04 2.362148e-03 -6.000000e+00 1.663201e-02 285.32 -2.00 20.00 -2.00 320.60 0.00e+00 5.672 0.003 302.00 328.00 3 4.6641e-01 3.5325e-03 7.1283e-02 -6.0000e+00 9.0472e-01 9.7259e-02 5.0065e-03 4.6878e-02 -6.0000e+00 9.8229e-01 -9.6236e-02 5.1367e-03 2.1541e-02 -6.0000e+00 5.8411e-01 2.9318e-02 2.4145e-03 1.0488e-02 -6.0000e+00 2.4499e-01 5.3744e-04 -1.2569e-03 5.1590e-05 9.1981e-05 -6.0000e+00 1.8481e-02 1.0198e-03 0.0000e+00 12 8 8 10 0 0 -2.03 22.50 0.26 0.00102 -0.00842 191 36 1 5 0 264.330 26.21 19.97 22.50 22.10 37.4 1027.81 -280684 -201145 900000 -205325 -198235 900000 -212573 900000 -140450 -187645 -209240 -187485 -166584 -101724 900000 -78303 -84784 900000 157770 21735 -73301 -36871 -21638 -58672 -44977 -31250 71684 -18861 -54129 -57769 -26574 -2677 -11841 -21075 -1101 28382 -17943 -20978 12631 -542 -2085 2976 -7013 -3471 -2313 14028 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