File name: Pandora206s1_BuffaloNY_20240517_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T081432.9Z 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_20240517_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: 20240517 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 20240517T105855.0Z 8903.457581 129 1 24.01 2 79.08 73.46 124.63 324.83 0.00 1 0.00 1 0 25 4.545e-01 1.020e-01 3.713e-01 7.025e-02 7.077021e-01 4.373684e-02 1.113436e-02 -6.000000e+00 2.828402e-01 231.10 -2.00 3.55 -2.00 321.11 0.00e+00 1.265043e-03 1.967369e-02 1.626957e-02 -6.000000e+00 2.495491e-02 281.62 -2.00 20.00 -2.00 320.58 0.00e+00 5.086 0.002 302.00 328.00 3 6.0048e+00 1.4676e-01 1.0964e-01 -6.0000e+00 7.4647e-01 8.1830e-01 1.8354e-01 1.2032e-01 -6.0000e+00 8.3194e-01 -8.8346e-01 1.6802e-01 2.4210e-02 -6.0000e+00 4.7996e-01 3.9933e-01 8.3728e-02 1.9370e-02 -6.0000e+00 2.1320e-01 3.0025e-06 -3.9654e-03 2.2280e-03 1.4157e-04 -6.0000e+00 1.4786e-02 -2.2255e-02 3.1843e-04 12 8 8 10 0 0 -352.14 18.74 9.76 -0.02226 -0.05205 6 6 2 8 0 4000.000 14.99 18.74 23.57 22.09 22.09 22.2 1037.10 900000 900000 900000 900000 900000 -38388 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 139888 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 135681 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9144 7911 5344 3205 -7091 7412 -6387 -5386 9292 2267 1964 7742 11871 -2506 12283 -1234 13079 9241 11497 4894 9829 9657 -242 6728 -1051 13732 -8063 -730 3207 12751 4182 2105 -15059 -1002 2456 -11252 13197 -9455 5953 -10736 12164 -18641 6106 -1861 19579 9171 6945 -18288 13758 -2976 -2985 13813 -116 -1538 -2681 4424 -36515 -3725 -6938 13832 2304 5326 -7085 -1082 13435 -11572 11214 -7 20299 -6505 8236 -870 14313 -6267 16300 -3009 8753 -482 4062 4929 -16204 1193 -1814 16146 -1316 -10442 -7568 SS 20240517T110529.0Z 8903.462141 132 1 27.32 2 77.93 74.51 125.31 326.56 0.00 1 0.00 1 0 25 3.714e-01 9.427e-03 3.493e-01 7.354e-03 6.954030e-01 3.997018e-03 7.755203e-03 -6.000000e+00 2.136909e-01 231.10 -2.00 3.55 -2.00 321.23 0.00e+00 4.704221e-04 1.917376e-03 1.271117e-03 -6.000000e+00 9.800522e-03 281.62 -2.00 20.00 -2.00 320.69 0.00e+00 4.637 0.002 302.00 328.00 3 3.7800e+00 1.3547e-02 5.9779e-02 -6.0000e+00 5.3821e-01 5.4986e-02 1.9307e-02 3.9968e-02 -6.0000e+00 5.8492e-01 -7.8138e-02 2.0518e-02 2.0153e-02 -6.0000e+00 3.4292e-01 2.2445e-02 9.7079e-03 6.4977e-03 -6.0000e+00 1.4411e-01 6.0521e-05 -1.4912e-04 2.0124e-04 6.6293e-05 -6.0000e+00 9.7558e-03 -2.2143e-02 2.2913e-04 12 8 8 10 0 0 61.60 18.74 0.46 -0.02214 -0.02326 17 17 4 8 0 1606.480 15.00 18.74 23.63 22.09 22.09 22.1 1037.56 -240783 43875 25671 -99811 900000 43455 900000 -29554 900000 900000 -139038 153076 -141690 -25926 -104305 -20852 3075 22531 -17418 38776 900000 51101 40919 24169 -22420 -31021 -19950 -40338 -57475 -27506 9827 3350 -6575 -10312 32546 120034 -5816 -8405 16517 -2862 -6493 4721 2555 -9763 6611 -23927 -14572 -13619 7870 10796 921 2634 6244 1445 412 3392 4244 -57 3102 -3179 -3008 5091 -732 3864 1672 2564 3339 -1012 10205 -712 3040 1792 -112 2358 2942 -478 -905 -6802 -1447 251 -3322 355 -1789 -707 -1783 459 1587 -95 -666 713 258 1489 2928 459 1722 -1746 203 548 -312 543 440 -791 -1728 -851 -1163 -1193 -369 239 -503 -228 92 318 -831 154 -702 867 -477 -5 -339 42 285 -597 257 145 1192 400 810 1005 446 -295 307 -51 66 606 -826 197 -448 714 230 -138 61 -367 -727 -2967 314 184 -715 900000 311 900000 -212 900000 900000 -1370 1097 -1990 -186 -1674 -187 25 168 -213 289 900000 366 330 260 -422 -685 -411 -988 -1613 -616 185 81 -208 -376 738 1159 -212 -374 715 -185 -480 351 198 -879 531 -2572 -1462 -1405 721 1031 105 336 846 227 70 588 762 -11 546 -581 -563 967 -169 975 459 679 873 -286 2843 -259 1188 743 -47 910 1029 -154 -273 -2197 -498 102 -1643 188 -1069 -441 -1207 326 1167 -73 -517 525 177 943 1830 291 1215 -1486 189 589 -371 637 484 -794 -1634 -800 -1150 -1241 -401 278 -645 -316 143 503 -1336 245 -1066 1237 -695 -7 -549 68 471 -952 392 213 1723 563 1092 1410 693 -503 573 -101 135 1301 -1874 466 -1086 1741 564 -322 139 -784 -1501 SS 20240517T111050.8Z 8903.465866 134 1 26.99 2 76.98 75.36 125.84 328.00 0.00 1 0.00 1 0 17 2.928e-01 6.359e-03 2.941e-01 4.985e-03 6.625076e-01 2.639588e-03 7.380850e-03 -6.000000e+00 1.672127e-01 231.10 -2.00 3.55 -2.00 321.02 0.00e+00 1.754883e-03 1.185730e-03 6.383923e-04 -6.000000e+00 7.235558e-03 281.62 -2.00 20.00 -2.00 320.45 0.00e+00 4.323 0.001 302.00 328.00 3 3.3976e+00 8.6045e-03 5.5767e-02 -6.0000e+00 4.1917e-01 6.9886e-02 1.1836e-02 3.6742e-02 -6.0000e+00 4.5463e-01 -8.8326e-02 1.2330e-02 1.8860e-02 -6.0000e+00 2.6904e-01 2.4984e-02 5.9463e-03 6.5769e-03 -6.0000e+00 1.1334e-01 1.2125e-04 -3.1086e-04 1.3433e-04 6.0670e-05 -6.0000e+00 7.5186e-03 -2.2182e-02 2.0846e-04 10 0 0 10 0 0 97.47 18.74 0.36 -0.02218 -0.02452 27 27 4 8 0 999.500 15.00 18.74 23.75 22.09 22.09 22.2 1038.49 -103440 -40261 164484 -119390 -54227 -42759 900000 -73967 27807 -83768 -26489 -74381 -49840 155125 -15328 -40009 -3336 4102 -26078 2651 27166 15813 -31655 15693 -18489 -7755 -33272 40627 -41428 6835 4128 2691 14765 972 -10306 -13921 -4203 -10108 11417 -4074 -2188 -17916 3585 -5977 8818 -4012 -4198 -7074 6944 -93 2541 4958 -727 2495 638 3888 1387 3747 -340 407 -2404 1748 1664 1830 650 1029 880 -733 1750 -749 1996 244 3571 878 1832 -57 -3484 -1013 -2653 -19 -1268 236 -1960 -829 -1241 529 -381 900 -377 406 576 1035 834 -283 608 -716 174 516 172 -260 506 -842 -64 -1442 53 -1140 -820 -382 -639 300 363 621 -438 185 -703 1005 -90 171 -463 -65 -63 -91 50 -16 760 -163 612 698 573 -147 257 -469 126 -138 -207 75 -62 347 74 -376 46 -70 -156 -503 -196 799 -897 -264 -208 900000 -431 135 -692 -129 -651 -436 754 -156 -642 -42 54 -507 41 343 223 -754 259 -467 -188 -1084 612 -1369 150 112 89 510 43 -481 -656 -200 -604 683 -317 -190 -1963 336 -634 814 -433 -464 -831 746 -11 341 734 -125 456 127 782 297 785 -72 83 -520 399 434 543 207 317 268 -233 596 -306 882 115 1614 385 726 -20 -1204 -343 -1021 -9 -675 142 -1330 -587 -945 424 -296 711 -303 340 446 744 575 -202 482 -612 170 582 213 -322 583 -886 -60 -1380 55 -1246 -940 -469 -856 447 555 1005 -716 290 -1046 1516 -139 253 -734 -107 -103 -143 76 -25 1134 -236 848 1003 937 -252 481 -943 264 -285 -460 175 -148 836 178 -870 101 -154 -331 SS 20240517T111639.9Z 8903.469907 137 1 26.88 2 75.95 76.29 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