File name: Pandora55s1_QueensNY_20250518_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250519T050658.1Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250518_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: 20250518 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 20250518T102002.1Z 9269.430580 197 1 50.67 2 83.05 69.99 66.04 191.80 0.00 1 0.00 1 0 25 8.263e-01 3.093e-02 3.021e-01 6.727e-03 1.084383e+00 4.232700e-03 1.206278e-02 -6.000000e+00 5.261033e-01 231.29 -2.00 3.51 -2.00 322.29 0.00e+00 6.737433e-03 2.547550e-03 1.503765e-02 -6.000000e+00 2.490913e-02 283.94 -2.00 20.00 -2.00 321.85 0.00e+00 7.571 0.008 302.00 328.00 3 2.0632e-01 1.7015e-02 1.3822e-01 -6.0000e+00 1.3269e+00 1.5908e+00 2.1483e-02 1.4439e-01 -6.0000e+00 1.4471e+00 -2.0588e+00 1.6280e-02 3.8608e-02 -6.0000e+00 8.4850e-01 8.1753e-01 7.7259e-03 2.0332e-02 -6.0000e+00 3.4749e-01 6.2700e-05 -2.6892e-03 1.8169e-04 1.4829e-04 -6.0000e+00 2.6340e-02 6.8288e-03 0.0000e+00 12 8 8 10 0 0 -5.31 19.82 0.38 0.00683 -0.01338 63 12 1 5 0 804.040 26.11 20.01 19.82 22.24 38.4 1084.64 6543 -45757 900000 -87092 900000 116248 309547 900000 900000 15807 -83578 -63955 -53459 282987 900000 900000 -41145 900000 900000 900000 -51901 900000 900000 -50866 114744 28983 900000 27429 154899 -91514 257727 900000 161696 63706 127809 900000 26364 36170 200443 900000 41077 900000 10574 140900 39781 900000 25366 900000 232725 236467 77534 59062 56015 325198 900000 70350 900000 104687 205280 26651 13446 167667 46334 9587 111610 10337 40541 32986 26480 52534 6877 46039 57906 12075 70099 12744 41615 36371 23745 -6255 3422 27294 7494 7416 -178 4937 -7535 2495 -5256 4701 -934 -3423 975 5850 -3706 -421 -6456 -5533 -2409 -3412 -2455 -3352 1935 961 2579 -3594 -1993 -6702 -2621 1419 -403 -5383 -2591 -1137 -3094 -43 -198 3351 -976 223 -2145 -370 3187 6416 2181 1822 1855 1640 1922 -2528 1954 2157 1902 1261 255 -384 362 998 -483 -795 -751 77 -798 -2351 170 -2159 900000 -5460 900000 760 2023 900000 900000 221 -2982 -1990 -1773 1849 900000 900000 -2423 900000 900000 900000 -3357 900000 900000 -2732 1258 714 900000 605 1012 -6047 1684 900000 1541 1686 1786 900000 877 1163 1490 900000 1797 900000 666 2558 1857 900000 1325 900000 1758 1850 3068 3084 3299 2125 900000 4254 900000 4569 3260 2160 1182 3491 3365 1115 5592 1423 4285 3840 3514 6100 1351 6710 7617 2318 7166 1979 4453 3979 3157 -1282 774 5837 2196 2387 -65 1817 -3233 1010 -2310 1863 -374 -1330 350 2045 -1545 -198 -3817 -3826 -1856 -2904 -2111 -2755 1373 626 1617 -2475 -1428 -5304 -2178 1283 -426 -6736 -3459 -1569 -4360 -59 -266 4424 -1388 327 -3257 -541 4300 8084 2776 2274 2263 1998 2479 -3842 3295 4066 3911 2777 603 -967 941 2632 -1293 -2111 -1924 185 -1794 -5122 SS 20250518T103112.1Z 9269.438335 200 1 50.49 2 81.05 71.71 66.48 194.48 0.00 1 0.00 1 0 25 8.210e-01 1.481e-02 1.752e-01 2.474e-03 9.259365e-01 1.439386e-03 1.011701e-02 -6.000000e+00 5.012557e-01 231.29 -2.00 3.51 -2.00 321.67 0.00e+00 9.412335e-03 8.202748e-04 2.380174e-03 -6.000000e+00 2.291014e-02 283.94 -2.00 20.00 -2.00 321.17 0.00e+00 6.086 0.004 302.00 328.00 3 2.8657e-01 5.3791e-03 8.2645e-02 -6.0000e+00 1.2576e+00 3.6693e-01 8.1267e-03 6.2006e-02 -6.0000e+00 1.3637e+00 -4.3424e-01 8.5701e-03 2.8191e-02 -6.0000e+00 8.0767e-01 1.7107e-01 3.8640e-03 1.6578e-02 -6.0000e+00 3.3392e-01 3.3469e-04 -1.2540e-03 6.5552e-05 1.7130e-04 -6.0000e+00 2.5087e-02 6.6772e-03 0.0000e+00 12 8 8 10 0 0 9.37 19.83 0.26 0.00668 -0.00275 161 30 1 5 0 313.540 26.11 20.01 19.83 22.62 38.2 1086.21 -294594 -312566 900000 -334606 153004 -232165 -232602 900000 -126337 -267147 -264787 -263084 -218878 -98563 900000 -74002 -159196 -165986 900000 900000 -147082 26059 -13995 -105074 -42330 -65696 900000 -69892 -59344 -113512 -31046 15029 -6938 -14671 9353 185080 -18821 -28526 14513 35681 -4836 30299 -11717 12194 10186 62868 -1466 42387 26550 32580 12885 11671 2725 29236 29026 17420 20739 12459 18913 4796 561 15653 10570 1542 11862 2068 10980 5338 7370 7188 1949 7157 6165 -63 3749 1085 3538 4807 2382 -1488 863 4122 -917 217 -1129 -2032 -1992 -1695 -1546 -605 22 -167 -373 837 -551 -643 -1518 -309 -1284 -990 -853 -555 451 1089 -30 -1669 -1314 -1590 -521 182 -483 -1326 -567 -536 -386 671 779 1232 372 -264 -661 218 613 917 425 606 606 1619 785 -231 568 429 1005 520 162 -278 -2 76 -501 -639 -274 -126 -131 -240 -2446 -3935 900000 -6140 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-2.00 20.00 -2.00 320.33 0.00e+00 4.972 0.002 302.00 328.00 3 2.2034e-01 2.0961e-03 6.5421e-02 -6.0000e+00 8.1435e-01 1.1298e-01 2.8837e-03 4.3677e-02 -6.0000e+00 8.8001e-01 -7.9579e-02 2.9588e-03 2.1941e-02 -6.0000e+00 5.2361e-01 1.9534e-02 1.4186e-03 9.9683e-03 -6.0000e+00 2.1860e-01 1.2433e-03 -7.4964e-04 3.1637e-05 9.1534e-05 -6.0000e+00 1.6187e-02 7.3898e-03 0.0000e+00 11 8 0 10 0 0 15.36 19.82 0.22 0.00739 0.00176 321 61 1 5 0 157.260 26.11 20.02 19.82 23.14 38.3 1089.12 -216998 -205342 -50308 -184020 -188292 -97375 -191331 191293 -168902 -142734 -176614 -142580 -125242 -95162 -6047 -66239 -58502 94885 24079 -25785 -54848 -36691 -13250 -53139 -39262 -37663 14353 -22481 -36525 -33743 -27153 1212 -14559 -4984 -9245 10848 -11109 -10349 1167 -144 -3643 -3205 -3954 -4298 2085 4031 144 3046 3349 5350 2065 3823 627 6280 4023 2994 1957 1049 1143 1151 482 3933 2401 928 2155 540 2510 874 2861 1529 373 106 555 -757 102 72 464 2232 525 239 -225 811 -1532 -1110 -1261 -999 -1255 -739 -752 -472 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