File name: Pandora55s1_QueensNY_20231124_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231125T051108.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231124_L1_smca1c17d20220526p1-8.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: 20231124 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231124T125858.2Z 8728.540951 209 1 50.41 2 80.20 128.25 126.95 335.89 0.00 1 0.00 1 0 25 7.263e-01 8.495e-02 2.226e-01 1.865e-02 5.825568e-01 1.101938e-02 8.324668e-03 -6.000000e+00 4.554334e-01 223.14 -2.00 3.51 -2.00 320.96 0.00e+00 -1.142106e-02 3.852882e-03 8.220482e-03 -6.000000e+00 2.466375e-02 279.56 -2.00 20.00 -2.00 320.37 0.00e+00 5.612 0.003 302.00 328.00 3 4.1438e+00 3.3475e-02 7.5363e-02 -6.0000e+00 1.1275e+00 7.9022e-01 3.9538e-02 6.1586e-02 -6.0000e+00 1.2420e+00 -1.2298e+00 2.4683e-02 2.0942e-02 -6.0000e+00 7.2193e-01 5.4015e-01 1.2365e-02 5.0593e-03 -6.0000e+00 3.0494e-01 1.6456e-05 -1.0114e-02 6.4554e-04 9.6708e-05 -6.0000e+00 2.4200e-02 4.7627e-02 0.0000e+00 12 9 9 12 36 4 99.99 11.82 3.22 0.04763 -0.02837 19 4 1 5 0 2652.540 26.21 20.01 11.82 14.45 35.4 989.69 45277 900000 5751 900000 900000 900000 900000 900000 900000 52859 124276 56912 -75798 900000 900000 11252 900000 900000 900000 900000 900000 900000 6453 232383 143890 900000 137986 113817 84228 205832 900000 71620 209788 163000 900000 40215 20039 900000 900000 74834 900000 53530 86488 119142 900000 40679 900000 900000 900000 42762 68937 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-13231 16378 4428 4025 -10082 3507 -12972 1463 -12565 1977 -463 -11016 6042 3265 933 393 -13661 -7597 815 -423 -1452 -2423 173 11415 9159 4111 -853 -5036 -1872 16543 9582 -16911 7275 -4456 -5021 -7359 9265 -7075 765 585 -9369 -1084 17262 2426 1328 1109 -1127 4710 -7047 -4855 3313 11855 7136 7151 7210 -6727 6926 -2495 8987 -9869 -3911 -8186 3642 -5529 SS 20231124T130554.7Z 8728.545772 214 1 50.76 2 79.18 129.53 127.41 337.86 0.00 1 0.00 1 0 25 3.679e-01 3.719e-02 9.756e-02 6.046e-03 6.201102e-01 3.330041e-03 7.305236e-03 -6.000000e+00 2.202053e-01 223.14 -2.00 3.51 -2.00 320.87 0.00e+00 4.619225e-03 1.376286e-03 1.874358e-03 -6.000000e+00 1.049967e-02 279.56 -2.00 20.00 -2.00 320.32 0.00e+00 5.129 0.002 302.00 328.00 3 3.0184e+00 1.0457e-02 6.0232e-02 -6.0000e+00 5.4348e-01 4.0152e-01 1.2991e-02 3.2740e-02 -6.0000e+00 5.9535e-01 -6.3340e-01 1.0506e-02 1.7933e-02 -6.0000e+00 3.5155e-01 2.8639e-01 5.1523e-03 6.6471e-03 -6.0000e+00 1.4726e-01 7.9958e-05 -2.4611e-03 1.8732e-04 1.0385e-04 -6.0000e+00 1.1361e-02 2.1906e-02 0.0000e+00 12 9 9 12 4 4 99.96 11.75 0.34 0.02191 0.00341 35 7 1 5 0 1450.110 26.21 20.00 11.75 14.76 35.4 990.15 -61326 900000 -132344 37153 900000 -13114 900000 56988 -35741 -92689 -40646 -77153 -147472 900000 82518 -36014 -6100 900000 900000 900000 121034 103718 -53743 24023 17183 900000 18227 -17014 -38717 22763 73141 29299 1065 23856 900000 8190 -6614 69063 127568 18838 68523 7717 16090 25871 95057 11037 63236 39637 52711 19519 13099 -844 65416 50985 25532 40525 21690 32708 10155 15647 32286 13762 -6976 20256 -8502 23373 -2403 4248 6159 -4091 8417 11811 -5604 11194 -1967 1979 15106 -1950 -3320 -7868 8393 -999 -796 -6112 -2258 -7525 -2854 -7102 -1928 -3204 -4316 -976 1133 -2320 -622 -5408 -3337 -2461 -1185 -1249 -1276 394 2474 877 -2070 -657 -2386 -876 2988 1457 -2790 232 -555 -1576 -6 629 2625 182 30 -2081 1015 3427 5036 640 815 1126 1775 295 -438 2141 1969 2126 1454 1328 -966 393 -96 285 -1995 -1183 -1083 -895 -1257 -2236 900000 -9515 514 900000 -258 900000 650 -1008 -4503 -1285 -3878 -17076 900000 1625 -2348 -324 900000 900000 900000 2144 2127 -4769 1089 854 900000 878 -1092 -3048 1105 2558 1744 89 1631 900000 626 -632 3826 4796 2165 5393 1109 2200 3258 6385 1613 5786 4601 5635 2998 2308 -185 8353 7848 5151 7322 4687 6277 2334 3398 6255 3446 -2343 5763 -3242 6534 -840 1446 2253 -1822 3603 5031 -2751 4455 -814 723 4651 -718 -1368 -3899 4098 -592 -508 -4317 -1633 -6001 -2280 -6023 -1557 -2533 -3277 -679 753 -1639 -475 -4853 -3322 -2700 -1374 -1460 -1420 400 2328 839 -2133 -706 -2723 -1047 3727 2009 -4289 364 -884 -2473 -8 904 3723 272 47 -3405 1629 5269 7459 955 1182 1582 2425 419 -674 3533 3499 3970 2832 2700 -2091 875 -220 655 -4666 -2694 -2370 -1863 -2560 SS 20231124T132855.3Z 8728.561751 226 1 45.85 2 75.93 133.93 128.66 344.56 0.00 1 0.00 1 0 25 1.112e+00 8.387e-02 1.507e-01 4.152e-03 4.348958e-01 2.173619e-03 5.951214e-03 -6.000000e+00 6.607704e-01 223.14 -2.00 3.51 -2.00 319.54 0.00e+00 6.494455e-02 6.194214e-04 7.966347e-04 -6.000000e+00 3.105165e-02 279.55 -2.00 20.00 -2.00 318.99 0.00e+00 4.022 0.001 302.00 328.00 3 3.4939e+00 6.0819e-03 6.3113e-02 -6.0000e+00 1.6248e+00 7.0213e-01 6.7865e-03 9.5258e-02 -6.0000e+00 1.7730e+00 -1.0995e+00 4.1660e-03 2.6299e-02 -6.0000e+00 1.0509e+00 5.6082e-01 2.2535e-03 5.4041e-02 -6.0000e+00 4.4421e-01 1.3602e-04 -3.4103e-03 1.1956e-04 5.9480e-04 -6.0000e+00 3.4102e-02 2.1870e-02 0.0000e+00 12 9 9 12 13 5 99.86 11.70 0.31 0.02187 -0.00376 11 2 1 5 0 3820.460 26.21 19.98 11.70 14.81 35.2 990.05 247008 900000 239934 549849 900000 288536 900000 250844 160799 62790 107436 84266 48657 581549 228094 167464 -66757 900000 301971 463035 203391 210929 90376 121892 70477 900000 46623 48726 62509 100806 144390 108485 118055 106327 164206 79277 64600 73480 66905 25275 37538 9949 21111 33753 56186 43387 74552 64679 65440 54103 41255 33877 47441 36857 18423 13724 -1329 -3789 -6639 1902 13968 11494 7470 19911 11606 22269 10607 8475 3492 -4495 -2672 -1291 -12521 -4180 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