File name: Pandora206s1_BuffaloNY_20231221_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T071232.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 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_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231221_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: 20231221 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 20231221T153047.7Z 8755.646385 182 1 26.15 2 70.50 155.13 116.12 47.03 0.00 1 0.00 1 0 17 6.993e-02 7.256e-03 7.357e-02 4.997e-03 4.325636e-01 2.449891e-03 5.131839e-03 -6.000000e+00 3.833718e-02 222.54 -2.00 3.55 -2.00 319.38 0.00e+00 9.223762e-05 6.402673e-04 3.056243e-04 -6.000000e+00 1.668225e-03 273.98 -2.00 20.00 -2.00 318.83 0.00e+00 2.962 0.000 302.00 328.00 3 5.1809e+00 6.7748e-03 3.6299e-02 -6.0000e+00 9.4455e-02 3.3186e-02 7.9582e-03 2.2159e-02 -6.0000e+00 1.0328e-01 1.1160e-02 6.5216e-03 1.1211e-02 -6.0000e+00 6.1441e-02 -1.3970e-02 3.4776e-03 3.3075e-03 -6.0000e+00 2.6209e-02 9.6308e-05 -3.1634e-04 1.3782e-04 3.4450e-05 -6.0000e+00 1.7806e-03 -8.4462e-03 8.5302e-05 11 8 0 10 0 0 99.95 17.87 0.57 -0.00845 -0.01082 11 11 2 8 0 2376.420 15.00 17.87 6.10 21.38 21.27 18.8 921.61 -34706 9059 4167 23148 -19437 11179 -27430 13020 -34385 28895 -10372 -3136 1798 -2407 -738 -8941 1857 3087 1572 -14527 9529 -11020 11035 3417 30 -3319 -16618 5988 -2975 4952 -1003 6102 -3430 1406 -3965 1672 -3535 56 2145 -1054 1353 305 721 -1496 2026 3294 -1437 -6006 245 -1393 2445 -1370 687 1531 -642 1709 1895 387 -1804 205 127 2259 1118 2371 -1489 595 -703 464 1125 789 1747 283 1284 510 1145 -1941 -356 -1793 -352 -914 -889 -413 -4011 -1728 -701 125 -296 469 1004 352 359 225 60 382 831 -279 673 903 349 -474 327 745 -372 -589 -348 -1358 -559 -128 -561 -124 209 -201 -87 -78 -256 475 -201 -3 -231 584 -305 67 115 365 444 29 267 854 540 109 556 -1 -32 67 128 -525 -175 -34 -98 26 36 -221 -153 -857 164 84 380 -433 180 -708 256 -1200 601 -322 -97 63 -103 -37 -568 114 201 111 -1261 667 -937 788 288 3 -339 -1970 553 -282 447 -105 670 -469 194 -536 217 -522 9 431 -262 353 85 208 -447 585 981 -433 -1897 76 -453 810 -517 272 648 -291 777 885 182 -843 92 59 1125 607 1398 -927 339 -389 254 663 539 1259 215 956 364 768 -1196 -205 -1021 -215 -633 -681 -355 -3729 -1643 -690 131 -325 526 1119 377 364 211 54 344 790 -295 796 1173 473 -633 415 878 -410 -671 -420 -1736 -744 -175 -802 -193 342 -338 -142 -122 -375 669 -287 -5 -360 950 -487 106 177 553 637 41 360 1181 806 173 921 -2 -56 121 244 -1054 -348 -69 -199 52 70 -410 -284 SS 20231221T155015.4Z 8755.659901 193 1 26.63 2 69.13 159.66 113.47 51.19 0.00 1 0.00 1 0 17 3.700e-02 5.601e-03 3.893e-02 3.718e-03 4.077748e-01 1.817292e-03 4.863668e-03 -6.000000e+00 2.029200e-02 222.54 -2.00 3.55 -2.00 319.09 0.00e+00 1.258408e-03 4.342876e-04 2.658783e-04 -6.000000e+00 8.828572e-04 273.98 -2.00 20.00 -2.00 318.55 0.00e+00 2.780 0.000 302.00 328.00 3 4.9190e+00 4.9601e-03 3.4134e-02 -6.0000e+00 4.9996e-02 3.6281e-02 5.7513e-03 2.0951e-02 -6.0000e+00 5.4661e-02 1.3328e-03 4.4348e-03 1.0520e-02 -6.0000e+00 3.2519e-02 -8.6536e-03 2.3752e-03 3.3727e-03 -6.0000e+00 1.3874e-02 1.5286e-04 -2.1630e-04 1.0214e-04 3.2702e-05 -6.0000e+00 9.4220e-04 -9.2443e-03 1.1015e-04 10 0 0 10 0 0 98.22 17.86 0.47 -0.00924 -0.01087 14 14 2 8 0 1901.690 15.00 17.86 6.22 21.38 21.27 18.8 922.26 -6788 -1630 5112 -24644 -9901 -17295 -7264 -4161 -12983 3569 1729 4106 -6741 -7710 -11669 733 -2923 3483 -354 377 -1970 336 3389 9994 -4799 -4135 -243 -2651 -1990 -1550 1350 -441 419 -1764 -1539 -1749 -2065 343 -543 -1097 566 -1129 -339 457 -992 124 -1533 -3366 -682 23 405 1624 844 1524 1273 419 1393 488 -136 60 1418 1599 1497 1545 80 184 292 -698 960 48 939 509 276 943 568 -165 -1248 -324 -826 -1067 -808 -1109 -2175 -1369 -1355 -305 29 -44 357 905 822 -443 310 177 540 -109 723 543 166 266 133 -805 -363 -22 -607 -904 -545 -388 -141 -215 224 537 -217 -14 -310 95 18 159 -210 150 -375 -318 450 179 584 33 389 1085 634 107 456 -172 75 16 -173 -328 -18 261 -15 74 -50 -346 -540 -179 -46 143 -885 -271 -496 -204 -128 -492 124 61 150 -329 -457 -862 55 -245 293 -33 36 -199 33 332 992 -585 -528 -30 -320 -224 -179 170 -63 67 -306 -247 -275 -362 69 -134 -297 167 -356 -111 150 -331 41 -518 -1155 -229 8 151 652 365 702 613 208 705 247 -67 29 707 867 901 1020 54 116 176 -422 617 33 705 399 215 694 418 -109 -762 -191 -530 -796 -632 -976 -2079 -1356 -1340 -319 32 -50 401 967 870 -437 283 160 533 -122 842 714 218 365 170 -948 -393 -24 -746 -1166 -735 -554 -200 -332 369 905 -358 -22 -443 137 26 225 -319 241 -606 -499 682 261 860 47 524 1490 965 167 753 -297 133 27 -322 -641 -36 528 -31 143 -92 -617 -940 SS 20231221T155502.2Z 8755.663220 195 1 4.15 2 68.83 160.79 112.79 52.18 0.00 1 0.00 1 0 25 4.867e-02 5.564e-03 2.632e-02 2.684e-03 4.058618e-01 1.310654e-03 4.845107e-03 -6.000000e+00 2.668719e-02 222.54 -2.00 3.55 -2.00 318.90 0.00e+00 1.017344e-03 2.956558e-04 1.654782e-04 -6.000000e+00 1.161203e-03 273.98 -2.00 20.00 -2.00 318.34 0.00e+00 2.744 0.000 302.00 328.00 3 2.5239e+00 3.5622e-03 3.3738e-02 -6.0000e+00 6.5752e-02 2.8130e-02 4.1109e-03 2.0655e-02 -6.0000e+00 7.1891e-02 -2.3288e-02 3.0831e-03 1.0448e-02 -6.0000e+00 4.2769e-02 3.3349e-03 1.6521e-03 3.2245e-03 -6.0000e+00 1.8245e-02 1.7641e-03 -2.3212e-04 7.3432e-05 3.2183e-05 -6.0000e+00 1.2394e-03 -8.3915e-03 1.0883e-04 12 1 1 12 1 1 96.39 17.86 0.29 -0.00839 -0.01014 19 131 4 8 0 206.860 15.00 17.86 6.26 21.38 21.27 18.8 922.64 43807 -8708 -1353 -15460 -6363 -13129 -5488 -11944 -9524 -7958 -10849 -4472 -10066 -3994 -6398 1399 -3895 619 -2028 2609 -489 2376 -1337 -927 -1917 -352 -425 -2085 -2271 -3213 1462 -1372 1633 -2014 -1423 -4345 -2111 -1819 -610 -470 -479 -763 -948 -20 -590 691 -262 -532 -1449 423 1409 1156 518 1372 842 774 772 472 582 455 1102 1125 1808 1885 774 383 488 -555 390 295 422 713 411 571 153 76 -382 -1031 -621 -731 -1142 -792 -2097 -1788 -1196 -686 -158 122 596 432 547 46 557 104 649 -94 976 763 51 -172 -461 -825 -1031 124 -932 -859 -872 -408 -100 -39 523 175 157 95 40 272 106 107 -53 -29 -236 -44 406 353 487 153 464 979 563 339 -74 -112 -142 -10 -66 23 48 117 -134 79 -191 -182 -577 860 -296 -45 -563 -186 -400 -184 -438 -385 -341 -478 -196 -556 -249 -487 113 -356 58 -206 264 -52 243 -147 -110 -243 -46 -57 -266 -273 -400 195 -210 273 -368 -239 -737 -389 -391 -158 -145 -163 -274 -355 -7 -223 261 -99 -202 -557 164 588 484 233 657 422 398 408 248 297 230 571 635 1124 1283 539 249 303 -346 260 210 329 576 330 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