File name: Pandora55s1_QueensNY_20240215_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240216T051710.8Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240215_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: 20240215 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 20240215T123242.8Z 8811.522717 60 1 50.72 2 83.18 113.34 111.68 40.94 0.00 1 0.00 1 0 25 7.634e-01 3.257e-02 2.494e-01 7.127e-03 1.047220e+00 4.458187e-03 1.151550e-02 -6.000000e+00 4.758431e-01 224.90 -2.00 3.51 -2.00 322.22 0.00e+00 5.641815e-04 2.424667e-03 8.455780e-03 -6.000000e+00 2.384202e-02 275.32 -2.00 20.00 -2.00 321.81 0.00e+00 7.703 0.008 302.00 328.00 3 2.5813e-01 1.6411e-02 1.0639e-01 -6.0000e+00 1.1838e+00 1.4782e+00 2.1089e-02 8.3209e-02 -6.0000e+00 1.3001e+00 -1.9258e+00 1.7796e-02 3.4884e-02 -6.0000e+00 7.6214e-01 7.6469e-01 8.5658e-03 9.7867e-03 -6.0000e+00 3.1814e-01 6.0453e-05 -1.6073e-03 2.0051e-04 1.9742e-04 -6.0000e+00 2.5366e-02 1.9486e-02 0.0000e+00 12 9 8 11 4 0 42.47 22.58 0.42 0.01949 0.00741 55 10 1 5 0 921.980 25.90 19.98 22.58 3.10 34.4 1023.22 -54391 900000 -94592 900000 900000 89551 900000 900000 -23403 -86081 26975 -88459 -26899 900000 900000 -35546 900000 900000 900000 900000 900000 900000 -57547 900000 17134 900000 -162 55993 -66082 171552 143162 18442 33562 122561 900000 7297 9021 900000 900000 24553 900000 18308 81631 86617 900000 51462 900000 380262 124115 102284 53913 36129 900000 900000 95519 411753 101330 150197 98423 55229 303186 44759 -30376 74397 11552 47446 30151 31612 46382 25553 48084 61490 4302 72765 14677 52923 42692 7881 -2436 -5584 32278 8078 13013 -1974 9594 -9987 4697 -9388 4275 -3464 -1533 -114 4584 -2813 -3823 -5557 -5697 -1929 -4228 -1549 -3449 299 1778 1326 -2604 -2970 -3300 -3585 2393 -2063 -4351 -1932 -1442 -1794 -827 -662 2367 3 -181 -1507 -751 4258 6008 2329 1078 2872 2503 468 -1794 1154 1716 1782 1474 444 -125 85 491 468 -981 -724 -741 -808 -1857 -2588 900000 -5875 900000 900000 635 900000 900000 -509 -3400 379 -4370 -905 900000 900000 -1979 900000 900000 900000 900000 900000 900000 -3427 900000 518 900000 -5 968 -3693 1186 1435 717 1206 1839 900000 301 392 900000 900000 1354 900000 1167 2837 2770 900000 2207 900000 2630 3006 3320 3064 2665 900000 900000 4824 2848 4881 4347 4345 3501 2097 3476 -5372 5530 1640 4897 3760 4170 5952 4415 7165 8184 930 7586 2343 5353 4616 1268 -501 -1418 6793 2430 4104 -760 3479 -4516 1918 -4411 1742 -1455 -600 -42 1664 -1196 -1902 -3321 -3998 -1495 -3637 -1323 -2836 214 1151 845 -1785 -2162 -2555 -3033 2156 -2220 -5409 -2562 -1982 -2487 -1121 -883 3112 5 -262 -2238 -1082 5597 7476 2916 1336 3432 2982 605 -2677 1933 3187 3598 3177 1026 -307 216 1272 1211 -2548 -1807 -1743 -1771 -3944 SS 20240215T124347.0Z 8811.530405 63 1 50.39 2 81.27 115.26 110.30 43.21 0.00 1 0.00 1 0 25 7.766e-01 1.445e-02 1.890e-01 2.653e-03 8.995593e-01 1.515372e-03 9.668613e-03 -6.000000e+00 4.668899e-01 224.90 -2.00 3.51 -2.00 321.60 0.00e+00 7.527371e-03 7.907017e-04 2.472782e-03 -6.000000e+00 2.108565e-02 275.32 -2.00 20.00 -2.00 321.17 0.00e+00 6.226 0.004 302.00 328.00 3 3.0204e-01 5.2466e-03 8.0814e-02 -6.0000e+00 1.1590e+00 3.1533e-01 8.1186e-03 5.7335e-02 -6.0000e+00 1.2668e+00 -3.6459e-01 9.2260e-03 2.8136e-02 -6.0000e+00 7.4984e-01 1.4238e-01 4.2465e-03 1.4058e-02 -6.0000e+00 3.1231e-01 3.1764e-04 -3.4449e-04 7.2566e-05 1.4651e-04 -6.0000e+00 2.3897e-02 1.8883e-02 0.0000e+00 12 9 8 11 4 0 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900000 232 -36 -466 -1688 -892 -199 900000 -770 -1731 -3392 -418 73 -56 -1218 90 561 -183 -1410 793 719 -16 827 -678 482 301 1949 -746 1806 926 1600 85 1320 97 2502 2467 1139 2292 976 1942 267 1110 1633 1561 -2382 1757 -164 1792 668 1054 1862 723 1754 1440 -85 1219 278 704 1410 453 -160 130 831 -23 -415 -484 -921 -1050 -577 -1300 -183 -111 -122 381 761 -333 -110 -1379 171 -1295 -430 -959 -504 91 980 -343 -1525 -773 -1784 -452 125 -428 -2293 -506 -741 -728 675 1571 2000 446 -322 -1752 -61 1293 1636 409 558 955 2024 1113 -556 1422 570 1507 1151 910 -978 212 -1 -1116 -1806 -831 -385 206 -369 SS 20240215T125737.9Z 8811.540022 68 1 50.39 2 78.92 117.72 108.49 45.96 0.00 1 0.00 1 0 25 4.380e-01 7.611e-03 1.088e-01 1.199e-03 7.489978e-01 6.466347e-04 8.312459e-03 -6.000000e+00 2.571195e-01 224.90 -2.00 3.51 -2.00 320.83 0.00e+00 4.196141e-03 2.770206e-04 1.147822e-03 -6.000000e+00 1.118458e-02 275.32 -2.00 20.00 -2.00 320.35 0.00e+00 5.020 0.002 302.00 328.00 3 2.0194e-01 2.0015e-03 6.3899e-02 -6.0000e+00 6.3562e-01 1.2879e-01 2.7190e-03 4.1413e-02 -6.0000e+00 6.9131e-01 -9.2002e-02 2.9163e-03 2.1516e-02 -6.0000e+00 4.1097e-01 2.3398e-02 1.4265e-03 9.6033e-03 -6.0000e+00 1.7354e-01 1.2865e-03 1.2127e-04 3.2862e-05 9.3167e-05 -6.0000e+00 1.3143e-02 1.8603e-02 0.0000e+00 11 9 0 11 4 0 -0.84 22.57 0.27 0.01860 0.01951 302 57 1 5 0 166.830 25.90 20.03 22.57 5.24 34.6 1031.75 -207468 106122 -197105 -99662 -148714 -107451 -13883 -132578 -131627 -150480 -122258 -137722 -84088 -39593 -48182 -71143 -78942 12231 -1203 -13786 -27531 -16277 -49564 -16813 -31960 23853 -23879 -26723 -43112 -16067 -6495 -9496 -6814 -4809 20219 -13099 -5729 -3097 4355 -6515 2934 -4722 -474 351 5953 -1033 3787 3516 3581 4067 2765 1875 5295 4967 2311 2780 475 1305 864 690 3519 2370 -441 1710 697 2323 1593 1737 1715 904 516 447 -502 563 -335 1093 555 754 -176 -50 16 -1355 -1379 -1628 -1139 -1619 -695 -890 -303 253 978 805 1271 940 708 552 466 -474 -456 -204 -377 297 692 -215 -1190 -639 -912 -225 50 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