File name: Pandora55s1_QueensNY_20220509_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121441.8Z 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_20220509_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: 20220509 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 20220509T102723.2Z 8164.435685 128 1 50.32 2 83.20 72.85 119.23 341.10 0.00 1 0.00 1 0 17 8.053e-01 4.222e-02 2.974e-01 1.267e-02 1.060374e+00 8.242528e-03 1.225298e-02 -6.000000e+00 5.272107e-01 230.60 -2.00 3.51 -2.00 322.32 0.00e+00 -3.127126e-03 4.197642e-03 1.462383e-02 -6.000000e+00 2.814844e-02 282.98 -2.00 20.00 -2.00 321.84 0.00e+00 7.706 0.008 302.00 328.00 3 8.4454e-01 3.0989e-02 1.2872e-01 -6.0000e+00 1.3201e+00 1.8699e+00 3.7842e-02 1.2427e-01 -6.0000e+00 1.4432e+00 -2.3255e+00 2.4766e-02 4.2579e-02 -6.0000e+00 8.4684e-01 8.8309e-01 1.2532e-02 9.8507e-03 -6.0000e+00 3.5692e-01 2.8385e-05 -3.7303e-03 3.5981e-04 2.2541e-04 -6.0000e+00 2.6824e-02 5.8265e-03 -9.9788e-05 12 8 8 10 0 0 86.66 22.36 0.49 0.00583 -0.02220 35 7 1 5 0 1437.320 25.58 20.00 22.36 13.85 31.4 1060.12 900000 900000 900000 -32774 900000 900000 -28976 900000 900000 234389 -29077 116156 -40251 54545 900000 900000 10020 900000 900000 900000 900000 378822 900000 -46318 80918 23566 900000 173659 -11625 -35869 122175 900000 85997 2992 64340 900000 38948 112730 900000 900000 25504 900000 23248 61794 242674 900000 11961 900000 900000 900000 63350 101244 45892 900000 900000 270492 900000 900000 900000 160857 13028 900000 21921 -11854 157552 -10087 99736 12721 40220 35815 10205 28324 127700 762 301023 17367 53086 236653 9180 2859 -9849 66063 23805 25816 -12587 8167 -12398 8684 -8250 8656 -4559 -14598 11319 -2931 4075 -1979 -5845 -7352 -4285 -5280 1572 -3609 -3859 15863 5761 4097 -2331 1230 -1759 13535 3301 -10546 -2000 -2797 -3816 -1067 1545 5224 55 -2324 -4468 751 4051 9752 1420 3351 -1463 2230 -3955 -2876 -486 4162 712 2798 988 -1843 1288 592 1020 -1249 -222 -1377 681 -2739 900000 900000 900000 -3584 900000 900000 -1987 900000 900000 2878 -1919 1971 -3411 2206 900000 900000 823 900000 900000 900000 900000 4651 900000 -4826 2591 1281 900000 2132 -680 -2596 2159 900000 2811 223 2561 900000 1757 2708 900000 900000 2001 900000 1935 3473 2979 900000 942 900000 900000 900000 3598 4388 3646 900000 900000 3321 900000 900000 900000 4304 1329 900000 2272 -1879 5605 -1799 6425 1893 4963 5140 2050 5071 9027 166 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3.7473e-04 1.6882e-03 -6.0000e+00 5.9946e-02 3.7354e-02 4.5671e-04 12 8 8 10 0 0 99.93 22.41 0.65 0.03735 -0.00793 18 3 1 5 0 2771.860 25.58 20.00 22.41 14.16 31.2 1060.80 1032924 900000 900000 504756 900000 900000 361301 900000 900000 900000 152591 241213 177863 535618 900000 574913 331616 -6048 900000 900000 900000 550627 900000 184720 344979 93838 900000 216990 136961 135765 258557 900000 230900 212142 422971 900000 202792 160766 900000 900000 103691 900000 62866 75430 285680 900000 125831 900000 900000 900000 137317 146985 99605 900000 900000 180279 900000 158795 198442 80969 62337 900000 61359 29333 207272 25567 199114 50647 97152 28488 32603 32741 99950 -8030 127957 20322 22241 147507 558 8725 -2654 73822 25630 30458 -15170 2311 -15818 -8071 -13009 744 -11560 -21338 5456 -19338 -13956 -14128 -13118 -8862 2747 933 7415 6019 -454 16402 2733 3357 -10034 476 -3431 14586 2558 -11912 -3967 -5934 -8598 -10868 -3389 3073 804 -862 -822 4226 7401 13468 -723 1831 -2360 2619 -5353 1962 4239 10610 6064 7188 3208 -1977 710 -826 680 -3194 -1688 -3835 133 -3984 13454 900000 900000 53588 900000 900000 34538 900000 900000 900000 9106 5955 12101 6976 900000 7488 30380 -13200 900000 900000 900000 7172 900000 16623 4493 6578 900000 3578 5925 8398 7692 900000 15981 18168 5509 900000 11484 11319 900000 900000 7784 900000 6576 7829 4683 900000 12292 900000 900000 900000 14691 14392 14956 900000 900000 9189 900000 6848 5304 6536 6643 900000 9356 7065 10641 7422 11231 10842 13160 7513 8587 8601 13286 -2639 10535 4019 3910 7996 133 2357 -975 15388 9057 10664 -8166 1078 -8955 -4390 -7515 377 -6344 -11963 2205 -9477 -6895 -8176 -9167 -7240 2360 892 6734 5149 -364 10152 1857 2338 -8335 384 -3142 12729 2822 -16474 -5402 -8295 -11973 -14949 -4320 3836 1087 -1250 -1222 5920 9664 16022 -940 2263 -2948 3120 -7297 2848 6868 17980 11430 14100 6810 -4559 1652 -1973 1610 -7760 -3920 -8588 270 -8033 SS 20220509T105046.6Z 8164.451928 136 1 48.21 2 78.92 76.48 120.47 347.08 0.00 1 0.00 1 0 25 4.652e-01 7.433e-03 1.245e-01 1.343e-03 7.745646e-01 7.414388e-04 8.714801e-03 -6.000000e+00 2.777985e-01 230.60 -2.00 3.51 -2.00 320.98 0.00e+00 4.536636e-03 3.461815e-04 2.383971e-03 -6.000000e+00 1.237049e-02 282.98 -2.00 20.00 -2.00 320.41 0.00e+00 5.018 0.002 302.00 328.00 3 2.2153e-01 2.4277e-03 6.7066e-02 -6.0000e+00 6.9416e-01 1.0474e-01 3.3795e-03 4.7040e-02 -6.0000e+00 7.5148e-01 -7.0097e-02 3.5022e-03 2.1577e-02 -6.0000e+00 4.4731e-01 1.5411e-02 1.6688e-03 9.6274e-03 -6.0000e+00 1.8681e-01 1.1902e-03 -2.0563e-03 3.6396e-05 8.2887e-05 -6.0000e+00 1.3927e-02 3.4972e-03 -1.3262e-04 11 8 0 10 0 0 10.05 22.41 0.27 0.00350 -0.01195 260 49 1 5 0 185.370 25.58 20.00 22.41 14.61 31.3 1063.71 -139738 -52874 900000 -224764 -167203 -125814 -180490 -16211 -148965 -151898 -166874 -107624 -136573 -73306 -13246 -57433 -71293 -119373 16813 -338 -12404 -30080 -7536 -56430 -22392 -33380 51260 -20378 -25623 -43334 -13358 -1118 -12581 -17766 -3918 20435 -11285 -2310 -696 2524 -5989 674 -5867 -3820 1068 6093 -1021 2622 3128 3945 1956 3040 2244 6347 4852 2245 2540 969 808 646 90 3877 2135 782 2748 968 2127 1138 2525 1722 712 -68 307 -1261 243 -149 736 2097 950 304 353 265 -936 -971 -1445 -1018 -1208 -662 -1178 -437 -239 277 939 1234 1249 742 623 389 -377 -427 -129 -456 476 831 -437 -982 -822 -775 -154 6 -225 -572 -328 -63 25 600 970 986 503 -450 -765 -118 48 -156 -12 37 612 1444 531 -104 239 115 252 307 63 -646 -103 173 -419 -464 -54 21 229 116 -449 -88 900000 -2409 -976 -479 -1268 -25 -993 -1158 -1630 -679 -1480 -567 -74 -629 -1070 -3049 134 -3 -151 -448 -93 -1236 -384 -688 470 -386 -522 -1146 -312 -29 -437 -669 -144 589 -435 -95 -35 147 -443 52 -519 -347 95 535 -100 261 330 449 233 407 341 1025 861 434 511 201 166 130 19 818 519 221 783 293 639 353 834 650 307 -32 147 -593 105 -58 262 719 352 132 171 150 -607 -645 -1031 -770 -967 -551 -1001 -362 -189 205 657 856 928 634 587 426 -444 -540 -161 -533 525 850 -457 -1090 -910 -909 -195 9 -320 -905 -522 -100 41 933 1460 1500 802 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