File name: Pandora206s1_BuffaloNY_20230226_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T052950.6Z 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_20230226_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: 20230226 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 20230226T131108.2Z 8457.549400 75 1 3.37 2 77.81 114.39 106.73 37.58 0.00 1 0.00 1 0 25 3.486e-01 1.559e-02 3.965e-01 1.516e-02 6.566014e-01 7.797867e-03 1.059601e-02 -6.000000e+00 1.956215e-01 225.14 -2.00 3.55 -2.00 320.79 0.00e+00 -2.193695e-03 3.265128e-03 1.220979e-02 -6.000000e+00 8.395264e-03 273.24 -2.00 20.00 -2.00 320.35 0.00e+00 4.598 0.002 302.00 328.00 3 3.0088e+00 2.4003e-02 7.5292e-02 -6.0000e+00 4.8513e-01 1.1543e-01 3.2063e-02 7.2625e-02 -6.0000e+00 5.2721e-01 -1.0143e-01 3.3884e-02 3.7828e-02 -6.0000e+00 3.1308e-01 2.9669e-02 1.6696e-02 1.1021e-02 -6.0000e+00 1.3607e-01 1.4431e-04 1.6280e-02 4.1045e-04 2.6221e-04 -6.0000e+00 8.8965e-03 -1.5449e-02 3.5762e-03 12 9 9 12 1 1 99.71 17.52 0.50 -0.01545 0.10688 3 37 2 8 0 801.430 15.01 17.52 7.03 21.17 20.96 14.3 963.25 900000 -98215 900000 -175480 -76032 -135342 -316 14881 -107699 -81539 -111836 -33787 -134536 62703 -99449 -24846 -49940 -26257 38410 91381 -21219 61178 -38646 -30919 -33924 -7919 -3936 51874 -35772 -56017 13482 -41261 7729 -40128 13197 -3126 13885 10029 -5558 19258 16881 4841 1003 16018 -5526 2048 -9986 -6119 714 -249 2678 2512 3889 -1948 7599 3288 6795 4811 3466 -5936 3997 -468 5237 187 6058 -595 -904 -2499 289 -79 -1193 4895 2273 4841 1163 4023 -2337 972 -3375 -2197 -1715 129 -118 199 -2101 -416 1735 -1656 -434 975 3886 1034 1013 -637 -1167 616 173 -1086 -556 1508 -51 280 -1352 -553 -1954 -1990 -810 -1461 -617 1077 550 1187 349 -516 26 -6520 11 -626 819 -521 764 695 1218 354 1105 1043 -129 1049 -197 311 854 1287 -960 916 32 446 -80 1064 162 -320 -397 -2366 -73 900000 -1451 900000 -2829 -1123 -2000 -5 220 -1591 -1205 -1653 -499 -3072 927 -2538 -367 -1073 -494 568 1350 -456 904 -1038 -872 -1094 -213 -106 843 -1201 -2408 379 -2162 291 -2695 546 -134 616 498 -403 1345 1383 481 109 1528 -653 228 -1274 -773 88 -33 388 412 690 -403 1531 724 1506 1086 764 -1395 870 -117 1407 60 1929 -195 -295 -856 106 -34 -575 2314 1087 2120 480 1432 -829 338 -1383 -1062 -963 82 -82 145 -1542 -320 1365 -1380 -356 752 2929 751 712 -473 -987 544 177 -1292 -707 1837 -58 287 -1283 -538 -2091 -2228 -948 -1851 -851 1517 860 1927 566 -808 38 -9775 18 -947 1296 -859 1212 1057 1936 544 1615 1469 -178 1540 -308 541 1609 2554 -2041 1887 72 1031 -187 2521 380 -713 -830 -5128 -152 SS 20230226T131656.5Z 8457.553432 77 1 45.83 2 76.84 115.48 106.08 38.76 0.00 1 0.00 1 0 25 3.030e-01 7.479e-03 2.814e-01 6.721e-03 6.174327e-01 3.502853e-03 6.884511e-03 -6.000000e+00 1.675067e-01 225.14 -2.00 3.55 -2.00 321.05 0.00e+00 2.994155e-03 1.489521e-03 6.194949e-04 -6.000000e+00 7.648776e-03 273.24 -2.00 20.00 -2.00 320.56 0.00e+00 4.284 0.001 302.00 328.00 3 3.7999e+00 1.0967e-02 5.3016e-02 -6.0000e+00 4.1517e-01 6.2914e-02 1.4739e-02 3.3560e-02 -6.0000e+00 4.5355e-01 -2.5480e-03 1.5872e-02 1.7590e-02 -6.0000e+00 2.6938e-01 -1.3484e-02 7.8163e-03 7.1749e-03 -6.0000e+00 1.1493e-01 8.8886e-05 2.0922e-04 1.8687e-04 6.8814e-05 -6.0000e+00 7.8079e-03 5.9960e-03 1.0901e-04 11 8 0 10 0 0 99.99 17.53 0.28 0.00600 0.00757 122 38 2 8 0 375.610 15.01 17.53 7.26 21.17 20.96 14.5 965.78 -139364 900000 -139415 -158683 1051 -99837 93519 25864 149147 -15688 900000 -27376 -45979 -68248 9094 -35716 -28647 -1537 3234 -451 -9583 -49015 -7144 -4943 -12541 6167 -40549 -20577 -20233 -20405 -8173 8416 -12372 -4161 -3920 -11018 -1795 17522 21609 6982 3905 -4006 5556 -5435 -2022 1074 -2556 -8582 5110 -2144 -2905 2033 959 2055 58 8173 527 7829 -3232 2331 -1137 4399 -344 4775 -901 1510 2623 492 2757 -1610 2096 -529 -835 794 818 1779 294 691 -1663 812 -894 -1148 -3096 -719 -1821 -479 432 668 573 1342 -111 -264 500 -305 737 -415 897 295 1158 -465 -63 -433 -612 -277 -961 -1848 -584 -644 835 -86 446 469 -512 -136 -754 497 -642 183 -313 294 148 14 550 288 663 198 -283 581 446 -449 158 120 144 -36 -195 -520 357 265 281 -113 238 -248 -663 -1255 900000 -1598 -2123 7 -711 613 169 977 -103 900000 -179 -472 -1081 88 -624 -524 -25 54 -8 -191 -1445 -148 -111 -325 141 -1516 -607 -585 -657 -283 292 -593 -203 -179 -544 -92 880 1240 558 359 -426 568 -634 -232 123 -309 -1145 623 -301 -446 331 172 399 12 1631 117 1596 -713 481 -254 1037 -97 1443 -296 464 795 157 962 -681 932 -250 -386 338 316 607 96 230 -647 367 -477 -699 -2077 -495 -1364 -363 338 535 474 1046 -81 -180 326 -209 567 -373 883 334 1387 -551 -69 -441 -573 -268 -1016 -2059 -679 -774 1083 -127 713 779 -846 -214 -1113 696 -926 276 -502 485 239 22 823 429 943 273 -377 820 691 -779 297 239 297 -78 -444 -1235 854 646 678 -268 532 -524 -1380 SS 20230226T134440.7Z 8457.572694 87 1 33.86 2 72.37 120.86 102.79 44.18 0.00 1 0.00 1 0 17 6.681e-02 4.542e-03 2.005e-02 1.100e-03 4.760714e-01 5.464851e-04 5.508319e-03 -6.000000e+00 3.691276e-02 225.14 -2.00 3.55 -2.00 319.89 0.00e+00 1.031401e-03 1.651526e-04 2.596777e-04 -6.000000e+00 1.587449e-03 273.24 -2.00 20.00 -2.00 319.36 0.00e+00 3.256 0.001 302.00 328.00 3 2.0062e+00 1.5443e-03 4.0119e-02 -6.0000e+00 9.1487e-02 2.8848e-02 1.8512e-03 2.4646e-02 -6.0000e+00 9.9941e-02 -1.2359e-02 1.6349e-03 1.2480e-02 -6.0000e+00 5.9323e-02 -3.8930e-03 8.5754e-04 3.9478e-03 -6.0000e+00 2.5084e-02 1.6743e-03 1.0816e-04 3.0461e-05 3.9823e-05 -6.0000e+00 1.7037e-03 6.6571e-03 3.0027e-05 12 1 1 12 1 1 100.00 17.53 0.30 0.00666 0.00747 339 143 1 8 0 98.790 15.01 17.53 7.53 21.17 20.96 14.4 966.82 -19017 -11837 -23429 -22025 -17858 -32963 -24060 -17724 -21572 -21428 -18872 -22676 -12462 -5137 -5624 -5681 -4024 -2205 -2891 -1740 -1883 -2136 -2565 -302 -4061 -2242 -3048 -2692 -5293 -2198 130 304 730 -1751 -2490 -2317 -2818 -1743 -465 166 -1506 -899 -299 -1146 -416 -89 -488 -939 -874 420 1563 1111 1576 1241 776 1169 1194 659 192 204 987 1614 1645 1868 748 311 -239 -317 523 497 865 444 449 281 270 -229 -1075 -1062 -746 -1000 -1077 -921 -1787 -1247 -991 -475 113 415 642 648 751 610 4 186 371 86 473 591 58 -143 -159 -758 -690 -182 -798 -906 -602 -498 -197 157 287 171 126 -16 -188 132 -12 316 -59 -48 -287 12 239 139 636 100 520 781 364 200 119 -46 -310 32 -50 -140 108 184 -42 -34 -30 -250 -331 -271 -178 -417 -364 -253 -545 -400 -316 -454 -483 -419 -579 -353 -165 -221 -258 -195 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