File name: Pandora206s1_BuffaloNY_20230316_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T053004.8Z 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_20230316_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: 20230316 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 20230316T123912.2Z 8475.527224 117 1 17.19 2 77.56 104.35 71.42 178.65 0.00 1 0.00 1 0 25 3.789e-01 1.294e-02 3.377e-01 9.926e-03 6.842966e-01 5.129378e-03 7.671926e-03 -6.000000e+00 2.100449e-01 225.90 -2.00 3.55 -2.00 320.96 0.00e+00 3.925340e-03 2.153925e-03 5.617497e-04 -6.000000e+00 9.053875e-03 274.53 -2.00 20.00 -2.00 320.47 0.00e+00 4.511 0.002 302.00 328.00 3 3.9834e+00 1.5976e-02 5.7011e-02 -6.0000e+00 5.2128e-01 2.0125e-01 2.1420e-02 3.6898e-02 -6.0000e+00 5.6894e-01 -1.9494e-01 2.2527e-02 1.9459e-02 -6.0000e+00 3.3776e-01 7.2314e-02 1.1067e-02 8.1437e-03 -6.0000e+00 1.4278e-01 5.3681e-05 3.8484e-05 2.6018e-04 7.7694e-05 -6.0000e+00 9.6649e-03 6.2026e-03 1.0287e-04 12 9 9 12 1 1 98.76 17.56 0.64 0.00620 0.00649 6 12 2 8 0 2432.250 14.99 17.56 9.32 21.17 20.96 15.0 986.95 -221827 -36173 -57372 -197722 -185152 -15826 -109517 -24432 -146916 -122878 16596 -74766 -44147 15710 -6892 -8000 3731 -8332 -22644 -14270 7686 -9111 62531 -7709 -14746 839 -2072 -15859 -50471 -3018 -8142 13412 -14092 15440 -3530 -6498 5263 12852 6996 171 4052 -3017 -1761 -13594 4082 -7225 -6288 -11701 17921 5438 4694 7622 4395 9906 3952 3889 4438 -1364 -2504 -204 2673 8567 -273 9574 8 6731 879 1416 1492 101 2470 789 744 993 10295 -3423 -1389 455 -799 -3329 -1903 -2437 -3734 -353 -25 -617 766 -754 -13 2206 -323 1760 -1245 224 -773 -625 -54 839 303 -471 98 -1814 -1420 -668 448 -2246 -1513 -318 -690 1623 70 21 46 197 -315 445 -1753 668 103 -246 -439 424 751 934 1055 685 -811 668 964 922 702 -283 -170 -81 -295 -730 -363 517 1604 182 -535 -754 -1161 -5061 -350 -555 -4238 -3136 -153 -1060 -236 -2423 -1718 161 -777 -443 152 -79 -112 52 -146 -495 -302 137 -183 675 -177 -386 21 -53 -449 -1918 -83 -291 459 -717 644 -166 -314 255 684 469 15 373 -318 -193 -1711 436 -888 -784 -1607 1927 714 702 1235 804 1872 835 850 991 -317 -567 -45 591 1993 -80 2869 3 2071 288 479 544 43 1127 377 346 429 3787 -1287 -485 161 -330 -1633 -1072 -1579 -2564 -247 -19 -492 628 -641 -11 1715 -238 1233 -873 163 -626 -589 -57 971 377 -576 115 -1917 -1408 -679 471 -2534 -1793 -389 -933 2343 113 35 75 318 -479 668 -2653 1038 171 -420 -729 667 1142 1399 1514 951 -1108 965 1542 1602 1337 -559 -353 -173 -678 -1703 -854 1226 3815 413 -1181 -1568 -2364 SS 20230316T125617.3Z 8475.539089 125 1 46.04 2 74.55 107.48 71.44 182.51 0.00 1 0.00 1 0 17 1.683e-01 7.176e-03 1.974e-01 6.176e-03 5.667040e-01 3.190853e-03 6.400241e-03 -6.000000e+00 9.326629e-02 225.90 -2.00 3.55 -2.00 320.69 0.00e+00 2.290395e-03 1.221793e-03 6.833312e-04 -6.000000e+00 4.229264e-03 274.53 -2.00 20.00 -2.00 320.18 0.00e+00 3.686 0.001 302.00 328.00 3 4.5193e+00 9.6390e-03 4.6881e-02 -6.0000e+00 2.3146e-01 6.5053e-02 1.2423e-02 3.0695e-02 -6.0000e+00 2.5265e-01 -3.2795e-02 1.2561e-02 1.5472e-02 -6.0000e+00 1.5041e-01 7.2693e-03 6.3259e-03 5.8289e-03 -6.0000e+00 6.4694e-02 7.9071e-05 -6.2857e-05 1.7325e-04 5.3756e-05 -6.0000e+00 4.4001e-03 7.2175e-03 3.8863e-05 11 8 0 10 0 0 99.99 17.55 0.52 0.00722 0.00675 69 21 1 8 0 667.140 15.00 17.55 10.06 21.17 20.96 14.8 990.58 -33187 900000 900000 900000 -61523 -36714 -89359 -54603 -77100 -37040 -71018 13194 -18901 11676 -7741 -15088 -60789 22054 21696 2441 9159 6107 -13461 -13812 6044 -1318 -17954 -5443 -17548 -17274 15737 -12218 8796 1289 3215 2923 -2394 -10192 -275 -260 -2203 -6018 3421 -3667 -126 5016 -6700 -7916 3998 2384 2878 -409 1906 2463 2327 541 7286 -1934 358 676 3313 1034 2435 3684 194 1552 -1089 -843 -1163 -781 1616 3105 -67 1121 1540 -174 -680 3285 -1292 -2798 -1111 -334 -2754 -1776 -438 -470 775 1287 700 352 -921 -229 -354 1083 220 -541 -753 1147 -99 418 -346 -391 -1155 1204 -1052 -896 -885 127 212 89 85 48 -329 2 -398 450 -922 103 349 130 -97 157 -38 260 617 239 -143 658 -106 185 331 592 -113 -51 -110 -225 289 -156 283 -159 243 -385 -546 -210 900000 900000 900000 -546 -256 -1161 -571 -1148 -399 -1103 100 -252 144 -145 -359 -2397 440 467 67 241 164 -446 -503 203 -51 -784 -210 -745 -799 623 -706 477 79 180 165 -161 -884 -27 -30 -288 -869 473 -553 -19 717 -1091 -1339 622 400 538 -87 432 603 598 146 1895 -544 95 178 887 314 825 1310 73 572 -407 -322 -473 -366 805 1573 -34 532 693 -71 -262 1234 -575 -1494 -641 -217 -1968 -1321 -346 -395 671 1136 618 296 -722 -166 -258 804 176 -503 -804 1368 -127 517 -400 -406 -1115 1183 -1147 -1018 -1062 161 293 130 136 80 -533 2 -599 643 -1360 157 569 209 -161 251 -59 386 869 325 -188 910 -167 321 590 1105 -221 -106 -243 -519 673 -372 664 -355 512 -772 -1072 SS 20230316T130338.5Z 8475.544196 128 1 46.01 2 73.27 108.85 71.50 184.16 0.00 1 0.00 1 0 17 1.358e-01 4.901e-03 1.624e-02 6.962e-04 5.351752e-01 3.493290e-04 6.169725e-03 -6.000000e+00 7.524032e-02 225.91 -2.00 3.55 -2.00 320.17 0.00e+00 1.342928e-03 1.171259e-04 3.186734e-04 -6.000000e+00 3.243901e-03 274.53 -2.00 20.00 -2.00 319.64 0.00e+00 3.420 0.001 302.00 328.00 3 1.2439e+00 1.0178e-03 4.3562e-02 -6.0000e+00 1.8672e-01 3.1416e-02 1.2474e-03 2.8033e-02 -6.0000e+00 2.0384e-01 -2.8558e-02 1.1632e-03 1.4245e-02 -6.0000e+00 1.2102e-01 1.9230e-03 6.0035e-04 4.5741e-03 -6.0000e+00 5.1125e-02 2.8498e-03 -1.3694e-04 1.8895e-05 4.6016e-05 -6.0000e+00 3.4648e-03 7.7855e-03 -9.5520e-06 10 0 0 10 0 0 99.90 17.55 0.31 0.00779 0.00676 709 219 2 8 0 64.620 14.99 17.55 10.41 21.17 20.96 15.0 994.18 -53404 -40137 -40943 -38994 -48565 -55324 -42709 -52776 -36677 -33452 -38243 -38845 -20784 -23334 -12836 -11982 -9184 -3519 -5898 -7296 -3916 -3399 -8251 -4658 -6338 -2090 -6190 -6847 -8925 -4205 -3852 -1875 833 -2209 -4882 -5404 -3132 -2171 -613 -473 70 -8 -376 354 953 70 283 598 -58 1002 1308 1389 1499 1347 1176 1810 701 724 511 534 1077 1499 2320 2299 684 219 63 -361 487 703 871 407 585 235 77 -337 -1216 -1294 -744 -986 -969 -1002 -1963 -1329 -1116 -408 -73 319 758 609 789 359 173 138 311 93 524 661 148 -124 -297 -656 -716 -345 -841 -870 -716 -540 -239 243 347 252 188 35 -246 172 36 265 -23 -115 -138 90 272 175 552 93 444 724 368 240 10 14 -287 -91 -113 -209 164 188 -70 -12 -16 -177 -329 -649 -488 -534 -471 -580 -714 -536 -838 -565 -538 -659 -760 -425 -608 -371 -402 -329 -130 -239 -317 -168 -144 -390 -233 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