File name: Pandora206s1_BuffaloNY_20221210_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T044630.1Z 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_20221210_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: 20221210 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 20221210T135557.7Z 8379.580529 272 1 17.25 2 79.35 135.86 81.15 298.20 0.00 1 0.00 1 0 17 3.388e-01 8.367e-03 2.820e-01 7.098e-03 6.223128e-01 3.681518e-03 6.912311e-03 -6.000000e+00 1.864338e-01 222.39 -2.00 3.55 -2.00 321.22 0.00e+00 2.496217e-03 1.677812e-03 7.192358e-04 -6.000000e+00 8.208623e-03 274.94 -2.00 20.00 -2.00 320.71 0.00e+00 5.208 0.003 302.00 328.00 3 2.2665e+00 1.1981e-02 5.9963e-02 -6.0000e+00 4.5858e-01 8.3633e-02 1.6428e-02 3.3075e-02 -6.0000e+00 5.0210e-01 -8.8034e-02 1.7616e-02 1.8181e-02 -6.0000e+00 2.9803e-01 3.0451e-02 8.5542e-03 6.9367e-03 -6.0000e+00 1.2642e-01 1.8289e-04 -2.9455e-04 1.9989e-04 7.3773e-05 -6.0000e+00 8.6601e-03 1.1935e-02 -1.1595e-05 12 9 1 12 1 1 99.99 17.77 0.43 0.01193 0.00972 81 68 1 8 0 208.310 15.02 17.77 4.90 21.38 21.17 13.3 903.92 -104026 -20253 -178071 -106032 132351 900000 -75800 -106759 -78356 -111043 -118008 -74079 -95227 -57127 -12672 -58355 4860 -16081 -19461 -6926 -12346 -12858 -5793 -33090 1083 -24639 -25398 -12862 -24401 -8531 -9447 11079 -39569 66844 14308 -3361 -23000 -11800 -4344 -948 4142 -6852 -306 -8977 16878 7629 -5013 -8439 6950 3560 6108 2856 3643 1407 861 2369 1797 1604 -3260 2454 3176 5483 2669 5956 541 1770 1413 765 688 718 -1185 602 1903 4966 3858 -4322 -2881 -162 2805 14 -533 -727 -2530 -981 -92 1139 -438 -1042 -345 2358 790 587 342 -22 455 451 104 -323 -491 -488 -169 -1349 -833 -139 -276 -1324 -271 -1092 -282 -37 168 388 -130 -384 -547 -333 -874 382 744 555 322 707 355 540 735 207 -389 -825 870 583 277 -455 36 -338 320 -23 40 265 97 354 -216 -478 -711 -720 -140 -2913 -801 916 900000 -525 -940 -592 -1258 -1485 -699 -1438 -755 -149 -1175 64 -263 -355 -118 -225 -235 -106 -874 24 -682 -719 -338 -645 -236 -291 328 -2266 1527 468 -133 -1259 -690 -292 -74 341 -673 -30 -966 1423 725 -552 -998 739 421 795 428 591 255 165 465 365 322 -665 468 632 1190 682 1656 163 505 405 229 231 280 -512 264 802 1900 1349 -1468 -916 -52 999 6 -271 -423 -1619 -652 -65 849 -346 -849 -277 1750 551 385 218 -15 346 398 98 -348 -564 -544 -174 -1372 -777 -134 -290 -1471 -316 -1267 -356 -53 261 626 -207 -586 -786 -459 -1241 564 1164 898 510 1072 525 763 997 296 -543 -1245 1348 1009 524 -916 74 -755 763 -57 100 681 247 849 -490 -1029 -1507 SS 20221210T140358.8Z 8379.586097 275 1 5.44 2 78.35 137.44 82.40 299.40 0.00 1 0.00 1 0 17 3.895e-01 1.329e-02 3.300e-01 1.244e-02 5.762351e-01 6.259871e-03 6.563025e-03 -6.000000e+00 2.130865e-01 222.39 -2.00 3.55 -2.00 320.67 0.00e+00 -3.095384e-03 2.439482e-03 2.031020e-03 -6.000000e+00 9.322040e-03 274.94 -2.00 20.00 -2.00 320.14 0.00e+00 4.794 0.002 302.00 328.00 3 3.1400e+00 1.9098e-02 5.6103e-02 -6.0000e+00 5.2464e-01 9.1563e-02 2.4568e-02 3.3376e-02 -6.0000e+00 5.7403e-01 -7.9404e-02 2.4479e-02 1.5773e-02 -6.0000e+00 3.4175e-01 2.1741e-02 1.2292e-02 5.0806e-03 -6.0000e+00 1.4558e-01 1.1816e-04 8.9823e-04 3.4316e-04 5.2631e-05 -6.0000e+00 9.9274e-03 8.9404e-03 1.7772e-04 12 9 9 12 1 1 98.67 17.77 0.38 0.00894 0.01569 4 19 1 8 0 1054.250 15.01 17.77 5.36 21.27 21.17 13.2 906.54 -102462 133463 -80652 -118196 -110945 -123401 -102093 -69636 -76778 4663 181354 3572 255052 -26537 -26267 -16779 25626 -32119 -13987 -8919 16865 -18367 -12583 -4294 -15872 6509 -28601 -15668 -31058 8390 943 1217 -8385 44612 -16963 -919 -14687 1057 8481 4960 17580 1841 -3654 575 10271 1323 -966 -10796 1604 822 2842 7943 4011 4310 -3094 -12881 6542 2126 -2167 3389 -2021 5690 3886 5386 2011 2636 -1002 435 2149 -459 5682 -1005 2842 2135 2011 -1046 -17148 -3554 -964 -1814 -204 -1172 -1619 815 -1040 100 -388 1429 336 2064 -676 935 792 1582 -1168 1107 1113 -476 389 -1070 -647 -1997 -1477 9 -280 -1177 -1093 -610 763 663 758 295 -134 -116 -162 -592 179 1091 66 -534 275 676 432 305 860 -642 -286 276 -1 -535 180 -233 1080 -565 -566 -743 287 10 401 869 432 -174 -1152 -1243 1619 -978 -1894 -1490 -1924 -1513 -876 -1207 57 2200 43 3093 -489 -590 -399 437 -1030 -415 -264 394 -611 -430 -152 -692 243 -1474 -690 -1521 298 42 63 -550 1804 -1181 -55 -1155 85 768 561 1949 254 -554 84 1361 194 -146 -1842 251 138 526 1548 886 1036 -847 -4062 1757 589 -605 878 -574 1654 1301 1978 776 961 -376 166 904 -222 2814 -550 1463 1039 920 -440 -7978 -1469 -440 -953 -122 -802 -1160 601 -843 86 -347 1284 303 1734 -538 710 580 1197 -991 1055 1176 -563 484 -1308 -754 -2119 -1494 9 -308 -1367 -1342 -775 1043 982 1224 495 -221 -182 -245 -866 265 1685 106 -896 449 1060 680 460 1236 -902 -399 397 -2 -940 331 -452 2151 -1180 -1232 -1687 655 23 923 1941 916 -361 -2383 SS 20221210T141915.1Z 8379.596703 283 1 46.04 2 76.51 140.51 84.73 301.74 0.00 1 0.00 1 0 17 1.535e-01 4.864e-03 4.402e-02 1.709e-03 5.086919e-01 8.557718e-04 5.760089e-03 -6.000000e+00 8.391540e-02 222.39 -2.00 3.55 -2.00 320.57 0.00e+00 1.848184e-03 3.239022e-04 3.490008e-04 -6.000000e+00 3.672396e-03 274.93 -2.00 20.00 -2.00 320.04 0.00e+00 4.186 0.001 302.00 328.00 3 1.6985e+00 2.5897e-03 4.8216e-02 -6.0000e+00 2.0660e-01 2.6190e-02 3.2615e-03 2.6392e-02 -6.0000e+00 2.2612e-01 -1.0280e-02 3.1568e-03 1.3780e-02 -6.0000e+00 1.3463e-01 -5.0507e-03 1.6018e-03 4.9699e-03 -6.0000e+00 5.7297e-02 9.4389e-04 1.2015e-04 4.8476e-05 4.8111e-05 -6.0000e+00 3.9143e-03 1.0880e-02 3.7198e-06 10 0 0 10 0 0 99.99 17.77 0.31 0.01088 0.01178 794 245 1 8 0 57.690 15.02 17.77 6.28 21.38 21.17 13.3 912.36 -57934 -59817 -36218 -67200 -29390 -85574 -38834 -54752 -28476 -45816 -22124 -36709 -14233 -22066 -14353 -13397 -2695 -5536 -11931 -2236 -10893 1832 -9522 -3319 -2802 -1662 -3402 -7952 -7951 -2953 -3323 -3033 -1375 -6428 -2548 -7066 144 -3927 2003 867 1331 -566 -380 -63 1134 66 -744 402 870 2157 217 2463 1267 1852 430 1858 835 1200 493 918 1298 1169 2157 1886 388 133 -113 -496 1429 153 1375 442 859 486 -82 -54 -1224 -678 -970 -731 -856 -792 -2206 -1492 -951 -313 -381 421 649 516 811 359 1 -283 436 -58 708 524 457 -115 28 -693 -538 -229 -808 -1055 -813 -436 -237 438 206 293 -38 19 -307 31 10 236 66 -79 -156 272 381 103 392 -67 698 429 417 197 -24 -112 -354 18 -138 -134 150 234 -143 33 -36 -60 -339 -666 -798 -404 -963 -260 -1341 -421 -794 -361 -741 -288 -624 -242 -504 -373 -402 -79 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