File name: Pandora55s1_QueensNY_20220503_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121247.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220503_L1_smca1c19d20211111p1-8.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: 20220503 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220503T103616.2Z 8158.441854 66 1 49.97 2 82.74 75.45 97.66 50.03 0.00 1 0.00 1 0 25 7.194e-01 4.280e-02 2.843e-01 1.084e-02 9.902593e-01 7.132470e-03 1.081928e-02 -6.000000e+00 4.776957e-01 230.09 -2.00 3.51 -2.00 322.24 0.00e+00 1.775284e-02 4.215204e-03 1.449634e-02 -6.000000e+00 2.609677e-02 282.32 -2.00 20.00 -2.00 321.79 0.00e+00 7.303 0.007 302.00 328.00 3 1.1666e+00 2.7773e-02 1.4146e-01 -6.0000e+00 1.2045e+00 1.6753e+00 3.3021e-02 1.5603e-01 -6.0000e+00 1.3270e+00 -2.0633e+00 2.3559e-02 2.8950e-02 -6.0000e+00 7.7131e-01 7.8887e-01 1.1721e-02 3.3570e-02 -6.0000e+00 3.2002e-01 3.1014e-05 -3.4013e-03 3.2205e-04 2.1765e-04 -6.0000e+00 2.4488e-02 1.3360e-03 -1.1674e-04 12 8 8 10 0 0 56.99 22.53 0.61 0.00134 -0.02422 25 5 1 5 0 1998.200 25.58 20.00 22.53 16.69 31.5 1079.05 900000 900000 900000 -61459 900000 900000 12709 900000 900000 94772 62672 198216 -50027 900000 900000 900000 -35249 900000 900000 900000 900000 900000 900000 -33929 94186 170554 900000 322225 54766 -36380 256760 900000 900000 21094 900000 900000 106140 109216 900000 900000 80855 900000 14806 90811 149160 900000 61006 900000 900000 900000 75927 82267 28567 900000 900000 87005 900000 900000 900000 150801 25797 900000 53732 -6606 230257 -5598 139625 37017 58758 35953 6461 17177 89255 3219 169618 26830 96344 124509 16480 12724 -10762 61146 26649 22949 -8599 6847 -6889 2899 -9357 550 -5147 -11684 4477 10271 -2320 209 -9897 -5611 -4421 -5606 -398 152 713 11387 5893 -174 -1364 -1980 -1594 8134 1324 -10900 -2908 -2698 -5174 -2431 993 4966 348 765 -2254 947 6148 10742 -1188 2568 -573 1966 -3140 -2807 1775 3822 1124 2007 1505 -1402 354 822 764 -1057 -464 -2415 849 -2311 900000 900000 900000 -6230 900000 900000 381 900000 900000 994 850 2080 -2582 900000 900000 900000 -3317 900000 900000 900000 900000 900000 900000 -2324 1769 1790 900000 3381 1195 -2026 2694 900000 900000 1183 900000 900000 2223 2339 900000 900000 2998 900000 1092 3255 3015 900000 2901 900000 900000 900000 3825 4258 2656 900000 900000 5140 900000 900000 900000 4124 2280 900000 4238 -1043 4200 -1015 6437 4598 6304 5305 1378 3491 9162 701 6949 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1.2469e-04 -6.0000e+00 2.0549e-02 1.3063e-03 -1.0606e-04 12 8 8 10 0 0 41.73 22.55 0.40 0.00131 -0.01406 80 15 1 5 0 622.820 25.58 20.00 22.55 17.34 31.3 1081.80 -111993 900000 900000 -339084 900000 900000 -274528 900000 900000 -268153 -241563 -222351 -214430 -80314 900000 6652 -190373 -4219 900000 900000 900000 -23872 900000 -107358 -63377 -28660 900000 6801 -78143 -106476 19055 72982 6736 -63025 9249 900000 -10227 -21434 66665 57491 -17285 36183 -17767 4438 11246 57673 -5593 54202 31649 30498 13879 7687 2120 31792 28968 9474 23467 12033 16567 4688 2794 20209 5272 -1969 11816 -3529 10251 2226 3561 6523 -237 988 6053 -2535 6408 423 5326 8095 1281 -1144 -2483 4175 375 119 -4005 -1577 -2873 -398 -2333 45 -656 -810 28 2066 -780 437 -902 -704 -1267 -911 -307 -376 252 1495 590 -1153 -734 -926 -308 400 241 -1979 -592 -236 -850 376 675 1622 334 386 -783 238 994 818 -413 222 468 1056 147 -396 791 864 838 435 262 -793 1 19 -244 -566 -178 -72 51 -340 -366 900000 900000 -6823 900000 900000 -2894 900000 900000 -3553 -2695 -2419 -2816 -391 900000 24 -5472 -23 900000 900000 900000 -203 900000 -2232 -928 -317 900000 56 -1503 -2958 193 552 118 -2393 182 900000 -253 -677 1096 1238 -866 1213 -1058 227 557 1914 -350 2060 1596 1696 1003 665 216 2710 2738 1127 2563 1471 1922 595 364 2399 811 -370 2179 -787 2042 491 834 1679 -72 320 1907 -837 1827 116 1298 1896 344 -364 -946 1733 181 62 -2310 -940 -1820 -256 -1548 29 -410 -483 16 1159 -480 301 -725 -646 -1302 -992 -332 -385 236 1298 517 -1070 -714 -947 -336 475 317 -2889 -899 -362 -1290 552 969 2338 503 601 -1253 372 1495 1194 -594 310 636 1416 209 -622 1366 1609 1655 902 571 -1821 2 45 -589 -1367 -417 -161 109 -709 SS 20220503T105702.2Z 8158.456275 74 1 49.32 2 78.91 78.70 94.64 53.50 0.00 1 0.00 1 0 25 4.600e-01 8.894e-03 1.397e-01 1.911e-03 7.413980e-01 1.064685e-03 8.310855e-03 -6.000000e+00 2.762768e-01 230.10 -2.00 3.51 -2.00 320.97 0.00e+00 4.976996e-03 4.898967e-04 1.688800e-03 -6.000000e+00 1.234341e-02 282.32 -2.00 20.00 -2.00 320.41 0.00e+00 5.014 0.002 302.00 328.00 3 9.5915e-01 3.4703e-03 6.5170e-02 -6.0000e+00 6.9051e-01 1.1089e-01 4.7649e-03 4.3587e-02 -6.0000e+00 7.4846e-01 -8.7082e-02 4.8820e-03 2.0775e-02 -6.0000e+00 4.4398e-01 2.1105e-02 2.3352e-03 9.5516e-03 -6.0000e+00 1.8594e-01 5.9598e-04 -1.8481e-03 5.3546e-05 8.6892e-05 -6.0000e+00 1.4025e-02 1.7402e-03 -7.5989e-05 11 9 0 11 8 0 78.54 22.55 0.29 0.00174 -0.01215 141 27 1 5 0 349.700 25.58 20.00 22.55 17.69 31.4 1083.85 -172996 900000 900000 -231690 -52531 294 -168510 900000 -113842 -127927 -194775 -114980 -159072 -59422 900000 -11486 -95334 -60543 74354 58104 34867 -2712 -12385 -57366 -35118 -40149 143261 -28157 -27567 -44774 -22875 5088 -9323 -29906 -6437 36217 -12552 -7517 10993 6280 -6099 1068 -8651 -4544 -931 8452 -2984 7897 4927 8275 1435 906 -305 7020 8073 2137 6057 509 2099 1606 -949 6790 1777 113 3146 -866 4533 780 3277 1214 630 79 1501 -2094 1238 -465 1504 2792 1042 743 -529 1239 -638 -648 -1904 -1119 -1565 -680 -1282 -474 -166 291 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