File name: Pandora206s1_BuffaloNY_20241205_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241206T051931.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun 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_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20241205_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: United States Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20241205 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]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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 20241205T142048.5Z 9105.597784 91 1 9.64 2 75.70 140.99 111.85 102.43 0.00 1 0.00 1 0 25 2.107e-01 7.499e-03 1.824e-01 4.755e-03 5.815184e-01 2.407097e-03 6.752924e-03 -6.000000e+00 1.158987e-01 222.44 -2.00 3.55 -2.00 320.49 0.00e+00 2.248808e-03 9.026650e-04 3.954666e-04 -6.000000e+00 5.056520e-03 275.38 -2.00 20.00 -2.00 319.98 0.00e+00 3.964 0.001 302.00 328.00 3 2.2888e+00 7.1854e-03 4.8886e-02 -6.0000e+00 2.8540e-01 3.9229e-02 9.1968e-03 3.0411e-02 -6.0000e+00 3.1156e-01 -4.9403e-02 9.2508e-03 1.6036e-02 -6.0000e+00 1.8554e-01 1.1424e-02 4.6967e-03 5.6497e-03 -6.0000e+00 7.9606e-02 5.7833e-04 -6.2938e-04 1.2879e-04 5.7401e-05 -6.0000e+00 5.3595e-03 -1.4464e-03 0.0000e+00 12 9 1 12 1 1 57.45 17.70 0.38 -0.00145 -0.00618 17 27 2 8 0 535.060 15.00 17.70 4.71 21.38 21.17 22.7 895.20 -65019 -108663 -26070 -62655 -9090 -129314 -20754 -99002 -23784 -46702 -5626 -22597 -49267 -73 -46574 3316 -32460 -6871 -23668 11463 -14728 -5378 -13192 2570 -9051 6413 -8111 -10708 -8976 -8870 -36901 -3529 12202 -12427 1752 -14432 -2546 -4255 4475 -2153 1169 1085 1220 1851 7 2700 78 1329 -1308 2989 -411 1751 -268 2086 2296 2216 1485 868 1420 -804 2002 -73 3648 1351 3095 193 3830 -1423 1676 739 898 1548 -123 1274 -133 1180 -6442 -461 -917 367 -1371 -424 -2345 -1691 -1153 -714 -94 -451 897 893 911 298 228 -666 219 -260 444 436 261 66 -149 -356 -1430 506 -1498 -393 -904 -686 -792 309 65 754 87 418 154 20 206 657 97 -474 -274 -127 477 -56 619 -62 -53 916 804 565 -24 447 -470 -51 -538 -268 -431 420 -46 -25 103 -140 -48 -495 -1477 -177 -612 -47 -2047 -124 -1459 -189 -518 -44 -229 -783 -1 -1157 61 -962 -174 -772 279 -483 -159 -437 80 -342 221 -336 -442 -348 -358 -2328 -188 647 -934 109 -1016 -175 -347 410 -249 149 149 176 274 1 408 12 212 -223 511 -80 376 -64 530 621 621 434 256 404 -228 565 -23 1250 519 1243 77 1479 -568 699 361 489 880 -71 688 -67 540 -2921 -194 -424 192 -851 -288 -1794 -1309 -948 -627 -86 -429 845 814 769 242 176 -521 187 -248 470 515 339 86 -182 -408 -1490 530 -1692 -464 -1091 -882 -1072 459 105 1237 143 678 235 30 304 1007 155 -798 -459 -205 742 -87 909 -91 -74 1299 1246 955 -44 832 -920 -102 -1156 -590 -971 957 -105 -56 220 -289 -96 SS 20241205T142634.8Z 9105.601792 94 1 46.22 2 75.05 142.19 110.86 103.28 0.00 1 0.00 1 0 25 2.065e-01 5.428e-03 1.996e-02 7.595e-04 5.646494e-01 3.827428e-04 6.618887e-03 -6.000000e+00 1.135778e-01 222.44 -2.00 3.55 -2.00 320.38 0.00e+00 1.654416e-03 1.380223e-04 4.233598e-04 -6.000000e+00 4.955309e-03 275.38 -2.00 20.00 -2.00 319.87 0.00e+00 3.801 0.001 302.00 328.00 3 4.2584e-01 1.1296e-03 4.7164e-02 -6.0000e+00 2.7969e-01 2.8961e-02 1.4236e-03 2.9635e-02 -6.0000e+00 3.0532e-01 -4.2700e-02 1.3886e-03 1.5254e-02 -6.0000e+00 1.8182e-01 8.2468e-03 7.1047e-04 5.0351e-03 -6.0000e+00 7.8010e-02 4.4365e-03 -6.6363e-04 2.0552e-05 5.2855e-05 -6.0000e+00 5.2523e-03 -1.2538e-03 0.0000e+00 10 0 0 10 0 0 97.39 17.70 0.34 -0.00125 -0.00624 669 207 2 8 0 68.460 15.00 17.70 4.89 21.38 21.17 22.8 896.94 -90650 -66236 -66408 -66810 -81304 -67564 -70003 -70534 -57960 -49082 -45180 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-704 -536 -1568 -1127 -1075 -585 -222 -14 482 654 566 440 144 257 172 16 231 816 418 -22 -127 -719 -540 -319 -950 -1335 -986 -969 -499 201 391 446 406 418 -24 483 276 351 -169 -126 -775 -183 269 251 617 589 566 1257 1043 353 482 53 -195 -109 -439 -392 -663 451 -118 -463 -7 -153 -159 SS 20241205T143109.0Z 9105.604966 96 1 6.08 2 74.54 143.15 110.07 103.96 0.00 1 0.00 1 0 17 3.443e-01 1.566e-02 3.106e-01 1.565e-02 5.505354e-01 7.904035e-03 6.495863e-03 -6.000000e+00 1.895698e-01 222.44 -2.00 3.55 -2.00 320.07 0.00e+00 1.819114e-03 2.634655e-03 5.016844e-04 -6.000000e+00 8.894826e-03 275.38 -2.00 20.00 -2.00 319.55 0.00e+00 3.684 0.001 302.00 328.00 3 3.9399e+00 2.2824e-02 4.5720e-02 -6.0000e+00 4.6679e-01 8.9577e-02 2.8131e-02 2.8538e-02 -6.0000e+00 5.0970e-01 -6.3284e-02 2.6614e-02 1.4945e-02 -6.0000e+00 3.0353e-01 2.4311e-02 1.3839e-02 4.9632e-03 -6.0000e+00 1.3168e-01 1.4311e-04 -3.9272e-04 4.2487e-04 5.1892e-05 -6.0000e+00 9.0138e-03 -3.3061e-03 0.0000e+00 12 9 9 12 1 1 999.00 17.70 0.68 -0.00331 -0.00626 1 9 2 8 0 3038.960 14.99 17.70 5.11 21.38 21.17 22.9 898.33 -98828 900000 -75994 9582 900000 -72692 -77896 -119874 302689 29311 900000 38807 -12885 -8053 28891 -41823 10858 -20719 -33623 9980 34521 31797 26646 60020 -11344 65694 16618 53628 14506 1801 718 5076 -14002 -434 36102 -2930 -11391 17177 10796 -12674 -4350 -9293 2402 -6658 9641 -8523 963 -3537 4836 2296 1253 15661 311 8936 -7469 8710 1042 6842 2059 539 -5929 1649 2466 686 1338 -120 -1081 126 1826 -4948 5310 -510 6093 -5096 -944 -5654 180 971 342 -804 -2928 573 -1616 1156 -2548 1757 -766 -653 -509 -609 -2619 1352 1858 2468 1994 281 1575 -777 813 104 1671 -1870 399 -639 236 -2716 -700 -833 -22 654 -78 987 -809 891 -441 1071 -213 -718 212 -460 -513 506 273 2760 -413 -1847 1112 782 420 -158 1791 -566 -725 -1174 51 -261 498 -735 -11 -103 -314 1416 -347 -1743 900000 -1376 146 900000 -1109 -1341 -3428 4617 447 900000 592 -222 -166 529 -1811 310 -887 -1770 358 1002 970 881 1556 -625 1837 760 1691 642 93 42 335 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