File name: Pandora206s1_BuffaloNY_20230321_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T053217.6Z 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_20230321_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: 20230321 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 20230321T125945.6Z 8480.541500 75 1 46.15 2 72.27 106.95 75.25 110.52 0.00 1 0.00 1 0 17 1.461e-01 1.203e-02 1.969e-01 8.888e-03 4.888831e-01 4.544239e-03 5.563259e-03 -6.000000e+00 8.182817e-02 226.29 -2.00 3.55 -2.00 320.14 0.00e+00 2.726941e-03 1.474892e-03 3.308285e-04 -6.000000e+00 3.707341e-03 275.09 -2.00 20.00 -2.00 319.58 0.00e+00 3.239 0.001 302.00 328.00 3 5.7817e+00 1.3239e-02 4.0681e-02 -6.0000e+00 2.0303e-01 7.0683e-02 1.6096e-02 2.5838e-02 -6.0000e+00 2.2176e-01 4.9676e-03 1.4864e-02 1.3156e-02 -6.0000e+00 1.3105e-01 -1.5493e-02 7.7202e-03 5.3453e-03 -6.0000e+00 5.5959e-02 3.6491e-05 1.2622e-05 2.5279e-04 4.8515e-05 -6.0000e+00 3.7953e-03 6.6428e-03 8.1119e-05 12 8 8 10 0 0 99.98 17.58 2.50 0.00664 0.00674 26 8 1 8 0 1774.850 14.98 17.58 11.50 21.17 20.96 15.1 1002.01 -45031 900000 900000 -30937 900000 -42286 900000 -38302 -14932 -57914 56831 -26291 60644 41564 10914 8007 45526 822 -15607 19495 -8401 25330 8732 -2692 -11798 22357 53597 -3072 -13878 14706 5647 -10189 2218 1833 9508 -13798 8170 -3668 -7731 -6772 10443 -6874 5206 -4212 3385 1072 -12223 -11186 2789 4692 -3721 3638 -2049 5467 -214 3083 624 -879 -2823 155 -2290 -517 6922 -555 1612 -1282 413 -2490 3328 -1391 2910 1215 1331 4501 1350 1719 -1772 3724 -1214 -372 -2445 918 -3312 1298 -1368 587 487 260 -285 458 -220 655 1523 -1878 474 -3569 913 -19 1255 78 146 -865 -795 -431 -735 -985 -603 913 -366 -72 108 463 -2058 -399 -884 958 -1376 370 48 1707 266 -263 347 -42 1927 -539 426 -117 1527 -479 1123 -554 -350 28 162 -418 172 734 100 845 225 -1593 -937 -567 900000 900000 -429 900000 -586 900000 -630 -220 -1404 492 -524 630 648 284 250 1065 33 -784 726 -422 899 386 -145 -736 1046 1857 -178 -865 739 362 -874 192 167 741 -1362 729 -435 -1172 -1208 1727 -1429 1005 -908 683 226 -2954 -2713 601 1040 -992 989 -635 1695 -73 1049 223 -315 -1002 53 -839 -205 2860 -273 782 -601 185 -1165 1620 -819 1787 784 842 2600 733 829 -822 1635 -625 -222 -1706 697 -2556 1102 -1168 523 454 249 -273 414 -203 553 1205 -1565 429 -3482 969 -23 1589 96 168 -908 -851 -480 -812 -1138 -731 1159 -507 -110 177 774 -3431 -616 -1272 1293 -1929 536 74 2717 425 -408 520 -60 2584 -781 587 -170 2214 -774 1920 -1004 -654 55 339 -919 381 1657 226 1799 457 -3142 -1799 SS 20230321T131324.6Z 8480.550979 77 1 3.72 2 69.90 109.55 72.95 113.00 0.00 1 0.00 1 0 17 8.554e-02 7.776e-03 7.304e-02 5.446e-03 4.407624e-01 2.684157e-03 5.147437e-03 -6.000000e+00 4.746647e-02 226.29 -2.00 3.55 -2.00 319.35 0.00e+00 2.515238e-03 6.916656e-04 2.411829e-04 -6.000000e+00 2.047925e-03 275.09 -2.00 20.00 -2.00 318.77 0.00e+00 2.879 0.000 302.00 328.00 3 3.4076e+00 7.4722e-03 3.6302e-02 -6.0000e+00 1.1788e-01 2.8564e-02 8.7249e-03 2.3091e-02 -6.0000e+00 1.2863e-01 -1.9116e-02 6.9798e-03 1.1511e-02 -6.0000e+00 7.6364e-02 -6.2838e-04 3.7030e-03 4.2775e-03 -6.0000e+00 3.2258e-02 6.0420e-04 -6.3088e-05 1.4955e-04 3.7682e-05 -6.0000e+00 2.1820e-03 7.3201e-03 4.2868e-05 12 9 1 12 1 1 97.85 17.58 0.35 0.00732 0.00685 6 28 1 8 0 508.570 15.01 17.58 12.05 21.17 20.96 15.1 1004.75 -29759 7103 -25359 36135 -47888 86 -48662 13481 -30178 8054 -60 -14693 -7435 -4762 6187 -8009 11107 -9017 10539 -8162 2379 -6231 10 -7742 -1527 -2196 -1898 1613 -5944 3838 -278 4934 -2569 3555 -7932 -1937 -7976 1332 -1966 -1043 -1810 -668 1186 860 2270 -810 2194 -1618 1995 -3265 3514 -1894 1532 685 1462 1177 -460 553 -660 1311 724 3297 467 1819 -318 928 -1219 191 598 479 869 951 439 466 425 -1499 310 -2866 -226 -611 -779 -1390 -1324 -1530 -129 -508 466 715 271 1677 124 901 -908 -146 -715 -316 573 1086 268 162 -1283 -1021 -340 -1188 98 -821 -944 -1168 176 -243 447 124 553 -267 -572 218 -15 243 -576 349 -440 508 133 536 576 647 812 639 738 274 -82 -289 78 -245 317 -9 53 255 225 -216 732 -1504 -497 -717 145 -694 544 -1484 2 -1637 274 -1068 207 -2 -520 -299 -228 320 -507 678 -670 742 -670 194 -504 1 -718 -152 -231 -201 156 -592 367 -32 603 -354 518 -1194 -275 -1248 224 -417 -259 -496 -191 347 256 671 -250 658 -507 611 -1097 1211 -752 630 305 671 556 -226 265 -312 604 351 1711 258 1086 -194 522 -678 106 361 334 657 742 338 339 283 -908 184 -1616 -137 -434 -632 -1188 -1208 -1466 -132 -519 494 776 295 1819 126 836 -806 -130 -709 -331 675 1438 355 208 -1651 -1187 -391 -1355 120 -1061 -1286 -1593 254 -364 714 203 872 -422 -839 303 -22 360 -922 548 -691 813 208 795 814 930 1115 921 1107 450 -136 -501 138 -460 600 -18 108 524 459 -424 1356 -2869 -921 SS 20230321T131948.3Z 8480.555420 81 1 1.64 2 68.80 110.79 71.89 114.18 0.00 1 0.00 1 0 17 6.959e-02 7.499e-03 7.372e-02 6.938e-03 4.228144e-01 3.424885e-03 4.864345e-03 -6.000000e+00 3.869981e-02 226.29 -2.00 3.55 -2.00 319.08 0.00e+00 1.452779e-04 8.156960e-04 4.732237e-04 -6.000000e+00 1.667865e-03 275.09 -2.00 20.00 -2.00 318.50 0.00e+00 2.740 0.000 302.00 328.00 3 3.0947e+00 9.4159e-03 3.4437e-02 -6.0000e+00 9.6116e-02 1.4886e-02 1.0900e-02 2.1526e-02 -6.0000e+00 1.0479e-01 -1.6953e-02 8.2861e-03 1.0871e-02 -6.0000e+00 6.2205e-02 -8.9090e-04 4.3967e-03 3.3349e-03 -6.0000e+00 2.6348e-02 9.7880e-04 2.8475e-03 1.9105e-04 3.1966e-05 -6.0000e+00 1.7732e-03 -7.0505e-03 1.7304e-04 12 9 1 12 1 1 -31075.86 17.58 0.56 -0.00705 0.01435 3 38 1 8 0 368.220 14.98 17.58 12.32 21.17 20.96 15.1 1006.47 -25376 22039 -33984 5852 -28730 2832 -29090 8338 -24094 -5632 -22370 -22088 -13198 -11755 -4599 -10486 4758 -5393 2013 -6679 2008 -2256 1118 55 642 -265 -1178 -3047 -10355 2233 -5729 3850 1106 3399 -5865 -3348 -4269 915 1332 -51 -630 -2025 264 -460 595 -1319 -561 -787 2798 -545 2403 1771 386 1819 1436 1379 1390 2032 -836 2758 440 3269 2719 3132 -676 383 -415 -953 627 -1073 1307 20 945 -11 16 -1434 -276 -1910 -539 -1051 -1221 -1298 -1584 -1743 -1068 -413 -255 475 572 11 368 -461 -400 238 -4 183 1056 1018 -205 -339 -94 -648 -721 -735 -1109 -1055 -573 -340 -199 452 593 544 625 -209 -392 462 -150 -221 -728 638 149 708 157 870 70 368 233 799 536 270 21 -585 -314 -147 419 -262 289 -176 212 -96 223 -620 -568 -779 470 -1327 143 -882 63 -984 221 -1003 -208 -978 -1046 -687 -722 -314 -862 359 -483 177 -671 188 -218 111 6 74 -32 -146 -360 -1245 248 -778 531 177 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