File name: Pandora206s1_BuffaloNY_20220921_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T041533.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20220921_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20220921 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20220921T114232.9Z 8299.487881 176 1 28.01 2 83.33 95.43 34.87 113.94 0.00 1 0.00 1 0 73 7.461e-01 2.325e-01 5.237e-01 1.634e-01 7.339717e-01 1.057843e-01 1.149877e-02 -6.000000e+00 4.830800e-01 228.38 -2.00 3.55 -2.00 320.92 0.00e+00 -4.087506e-03 3.405171e-02 1.133361e-02 -6.000000e+00 3.910196e-02 284.68 -2.00 20.00 -2.00 320.01 0.00e+00 7.831 0.009 302.00 328.00 3 4.3780e+00 3.1920e-01 9.9689e-02 -6.0000e+00 1.2379e+00 1.5271e+00 3.9868e-01 8.9273e-02 -6.0000e+00 1.3905e+00 -1.8467e+00 2.8861e-01 6.9492e-02 -6.0000e+00 7.9170e-01 8.6243e-01 1.4130e-01 2.6066e-02 -6.0000e+00 3.5329e-01 9.1341e-07 -9.2479e-03 5.4241e-03 1.1938e-04 -6.0000e+00 2.5824e-02 2.5948e-03 -5.4037e-04 12 8 8 10 0 0 -47.26 18.36 5.52 0.00259 -0.06690 7 7 2 8 0 4000.000 14.99 18.36 23.04 21.79 21.79 12.7 958.97 900000 900000 900000 900000 900000 900000 900000 900000 900000 -46881 900000 900000 57067 900000 900000 900000 900000 900000 183616 900000 900000 900000 900000 -21806 223913 78003 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 115981 -6337 146897 900000 42707 900000 900000 36695 -59520 -78025 900000 900000 900000 152841 900000 900000 900000 900000 900000 900000 -27566 82649 25945 -33596 8742 900000 -40362 37572 2766 900000 69858 18973 -22480 35040 123694 417186 900000 89379 115534 1289 20125 2781 900000 -28479 31345 59611 12735 -9750 86430 -20387 33130 65104 -19873 900000 -44697 67230 -10899 116506 1499 15994 2601 28553 33270 29586 16655 71595 16654 4593 91894 -26752 15438 -11777 23296 -37063 14586 -16645 59720 13321 -7009 96544 27775 24434 -3508 14647 -14364 26537 -19600 39373 4585 34248 -20400 26841 -1832 21461 -8935 1773 4715 -174 1863 -14317 -2497 9378 12645 -4228 900000 900000 900000 900000 900000 900000 900000 900000 900000 -17603 900000 900000 8970 900000 900000 900000 900000 900000 28860 900000 900000 900000 900000 -5847 35193 12260 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 18229 -1660 23088 900000 6712 900000 900000 5768 -20978 -33074 900000 900000 900000 24023 900000 900000 900000 900000 900000 900000 -8395 12990 4867 -12211 2393 900000 -17446 7429 785 900000 12810 6157 -11041 9771 19442 65571 900000 14048 18159 359 5510 1057 900000 -18184 11919 18134 6586 -6370 23547 -15121 14278 19442 -12494 900000 -34248 20077 -8013 28688 1266 12962 2427 19978 20074 16501 10386 28883 11906 3889 36108 -35346 15577 -17064 26458 -75729 17337 -25670 42088 14926 -9708 53616 30981 27874 -5033 16858 -21266 24891 -28123 30942 5044 31776 -35871 33478 -3260 31664 -18169 3568 9657 -366 3978 -34527 -5202 15975 19233 -7139 SS 20220921T114903.2Z 8299.492398 179 1 29.94 2 82.15 96.56 33.82 115.75 0.00 1 0.00 1 0 25 5.613e-01 1.298e-02 2.865e-01 6.819e-03 7.733327e-01 3.748500e-03 8.832547e-03 -6.000000e+00 3.164649e-01 228.38 -2.00 3.55 -2.00 321.92 0.00e+00 6.889263e-03 2.180759e-03 2.638719e-03 -6.000000e+00 1.456205e-02 284.68 -2.00 20.00 -2.00 321.38 0.00e+00 6.823 0.006 302.00 328.00 3 1.1538e+00 1.4652e-02 7.9297e-02 -6.0000e+00 7.8769e-01 3.5452e-01 2.1190e-02 4.4131e-02 -6.0000e+00 8.5733e-01 -4.6606e-01 2.1509e-02 2.4711e-02 -6.0000e+00 5.0870e-01 1.8144e-01 9.8092e-03 9.8901e-03 -6.0000e+00 2.1730e-01 1.0265e-04 -5.6755e-04 1.8393e-04 1.4307e-04 -6.0000e+00 1.4568e-02 -3.2865e-05 5.3678e-05 12 8 8 10 0 0 32.33 18.36 0.58 -0.00003 -0.00430 75 75 2 8 0 399.080 15.00 18.36 23.45 21.79 21.79 12.7 961.42 900000 -271097 -132476 -190523 -149732 -235480 900000 -155515 -145871 -190626 -152200 900000 -126866 -98237 -132258 1116 -122213 -48950 -100617 -41533 -20944 -11871 -7679 -69380 -87027 -53828 -16716 -62439 -15971 -77127 -16431 -34222 9793 26455 15900 -36418 36081 23635 -16681 25256 3777 10339 7998 5446 13336 10316 -4177 7385 -392 20931 4388 16176 9943 15140 8898 26059 15500 8633 4123 -1420 -3344 -28 10840 7089 9112 3183 9674 3371 7599 6001 10708 3121 3855 3117 3045 1148 -5136 1661 -2057 1316 -1663 5107 -2050 -1633 -1529 568 -166 -1011 363 -769 301 -1027 2714 -4198 -743 -2978 337 -149 34 -679 -1024 -1270 -2721 -692 -2653 -1496 -2268 -648 -1546 388 347 380 -659 738 -783 523 -213 40 129 232 17 736 1184 387 1344 944 1256 935 521 413 67 215 -166 -77 -100 -216 47 279 -164 57 -44 -374 -681 900000 -6061 -881 -1957 -995 -3273 900000 -1128 -1058 -2304 -1288 900000 -1303 -1009 -2477 7 -2880 -683 -2310 -607 -251 -126 -82 -1476 -2314 -1073 -233 -1328 -212 -2153 -317 -955 208 510 317 -1210 648 566 -732 873 181 495 415 297 683 562 -272 452 -28 1294 365 1344 965 1530 1011 2581 1751 1027 493 -177 -442 -4 1621 1268 1684 609 1762 686 1662 1556 2904 944 1127 854 751 257 -1168 370 -555 418 -642 2132 -915 -767 -770 298 -92 -578 204 -418 165 -540 1351 -2383 -472 -2080 267 -138 34 -681 -959 -1063 -2086 -532 -2258 -1321 -2149 -658 -1766 498 501 584 -1029 1103 -1129 721 -303 60 204 379 28 1109 1723 547 1812 1241 1600 1291 841 760 138 472 -387 -175 -246 -556 124 741 -434 143 -112 -893 -1584 SS 20220921T120907.0Z 8299.506331 184 1 30.07 2 78.52 100.07 30.70 121.89 0.00 1 0.00 1 0 17 3.620e-01 6.179e-03 1.695e-01 3.553e-03 5.846868e-01 1.860130e-03 6.707520e-03 -6.000000e+00 2.027031e-01 228.38 -2.00 3.55 -2.00 320.93 0.00e+00 1.818018e-03 8.283884e-04 9.853519e-04 -6.000000e+00 9.024185e-03 284.68 -2.00 20.00 -2.00 320.31 0.00e+00 4.857 0.002 302.00 328.00 3 2.2618e+00 6.1578e-03 5.6834e-02 -6.0000e+00 5.0425e-01 4.3306e-02 8.1701e-03 3.1804e-02 -6.0000e+00 5.4828e-01 -4.7057e-02 7.9166e-03 1.6428e-02 -6.0000e+00 3.2678e-01 1.0084e-02 3.8428e-03 5.1891e-03 -6.0000e+00 1.3879e-01 2.6166e-04 -1.6620e-04 9.8765e-05 6.1543e-05 -6.0000e+00 9.2379e-03 -1.1070e-04 4.1136e-05 10 0 0 10 0 0 98.26 18.36 0.37 -0.00011 -0.00136 94 94 2 8 0 319.060 15.00 18.36 25.22 21.79 21.79 12.8 972.22 -145589 -30771 -114614 -19569 -139756 -43579 -106031 -74751 -113781 273385 -53098 -60709 -63135 -29731 -17070 -18524 -20431 -25905 -10479 -20453 -4991 -20744 -1925 -13000 9776 -13666 -18460 -6115 -12380 -20996 -22245 5541 -3000 1277 -13108 -7696 -4635 -3382 -4658 -4834 -2576 -851 2476 -1757 -522 -2712 3611 -5973 2382 898 2141 3545 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