File name: Pandora206s1_BuffaloNY_20240127_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T072748.5Z 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_20240127_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: 20240127 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 20240127T154830.6Z 8792.658687 333 1 24.00 2 65.58 154.06 108.04 312.40 0.00 1 0.00 1 0 17 2.948e-01 2.423e-02 2.709e-01 1.853e-02 4.047877e-01 9.144245e-03 4.804455e-03 -6.000000e+00 1.625681e-01 223.95 -2.00 3.55 -2.00 319.15 0.00e+00 6.438338e-03 2.182966e-03 1.053735e-03 -6.000000e+00 7.170547e-03 272.40 -2.00 20.00 -2.00 318.64 0.00e+00 2.402 0.000 302.00 328.00 3 7.3607e+00 2.5046e-02 3.2305e-02 -6.0000e+00 4.0201e-01 1.7193e-01 2.8888e-02 2.4587e-02 -6.0000e+00 4.3913e-01 -4.5415e-02 2.2513e-02 1.0802e-02 -6.0000e+00 2.6120e-01 2.2083e-02 1.2145e-02 7.3084e-03 -6.0000e+00 1.1218e-01 1.7150e-05 -4.8028e-04 5.1227e-04 5.3964e-05 -6.0000e+00 7.6394e-03 -8.9115e-03 2.3392e-04 12 8 8 10 0 0 -95.96 17.61 0.82 -0.00891 -0.01252 6 6 2 8 0 4000.000 15.00 17.61 10.63 21.17 21.06 19.8 977.86 18796 900000 73056 900000 15759 40531 23235 134279 3200 16934 77854 166999 99648 142001 89992 -20993 -61076 29086 25026 -5701 66920 6478 32332 6419 3385 13132 -4516 52308 -11077 32270 20562 803 -8132 17906 -2033 4712 3615 7838 6012 -7350 -2045 -5626 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-2953 -1444 2278 717 1943 1035 2755 -878 740 -2233 3217 -3237 -149 -1331 -1784 1196 1613 1620 -5315 -2240 -3712 2229 -3703 1236 -2405 2233 477 23 1829 873 1867 -753 528 928 3477 -1783 2870 -871 1778 -3796 203 -792 1723 1107 3744 1484 988 -5002 -3130 SS 20240127T171233.2Z 8792.717051 383 1 24.01 2 61.56 175.88 117.50 330.98 0.00 1 0.00 1 0 25 7.745e-02 1.227e-02 7.106e-02 9.057e-03 3.560832e-01 4.423137e-03 4.236137e-03 -6.000000e+00 4.270792e-02 223.95 -2.00 3.55 -2.00 318.55 0.00e+00 9.209535e-04 8.869482e-04 1.953131e-04 -6.000000e+00 1.836055e-03 272.40 -2.00 20.00 -2.00 318.02 0.00e+00 2.090 0.000 302.00 328.00 3 6.9016e+00 1.1880e-02 2.7332e-02 -6.0000e+00 1.0561e-01 9.5051e-02 1.3591e-02 1.8190e-02 -6.0000e+00 1.1537e-01 6.2690e-03 9.6001e-03 9.1023e-03 -6.0000e+00 6.8501e-02 -1.0443e-02 5.1058e-03 2.8314e-03 -6.0000e+00 2.9103e-02 4.1413e-05 1.9219e-04 2.4949e-04 2.7978e-05 -6.0000e+00 1.9720e-03 -8.0091e-03 2.4033e-04 12 8 8 10 0 0 98.68 17.61 0.76 -0.00801 -0.00656 6 6 2 8 0 4000.000 15.00 17.61 12.72 21.17 21.06 20.1 991.90 -16820 49862 5626 41776 14118 38878 6375 14725 6862 -1015 -16028 -6956 -14114 -8358 10890 -5359 13349 4866 3378 -4689 7657 -6148 6957 -1805 -3416 95 204 4297 -6144 -1560 -1523 187 -1202 3602 -7977 -1007 -3129 4254 -2367 -3628 -1976 -1517 3687 -1120 4444 -1104 -5463 -5920 243 -1607 931 2270 277 2333 4182 2304 911 -1698 1475 396 40 4311 1478 392 -1367 -230 -2584 -972 -624 -281 2910 985 774 1588 1724 -2627 -1266 -3086 -1941 -2798 -1207 -97 -2341 -914 -1038 1240 1242 1069 1513 1309 1227 1202 -280 -1628 -1905 -587 425 1105 844 263 1109 -1237 -1619 -2165 294 -1832 -1428 -231 -252 1017 891 345 -598 83 -2382 -135 -298 -568 377 -10 -110 -103 1557 255 1214 510 -862 192 1547 17 680 109 -191 -769 411 -266 651 821 -44 650 -261 -1682 -627 -846 1486 265 1338 522 1084 264 630 358 -59 -1081 -447 -1141 -754 953 -627 1372 576 427 -669 986 -894 914 -278 -564 16 34 653 -965 -244 -255 34 -246 737 -1687 -200 -680 999 -720 -1326 -758 -605 1450 -467 1799 -462 -2359 -2611 100 -686 418 1089 139 1229 2241 1283 526 -998 816 219 23 2557 992 280 -1000 -158 -1715 -625 -429 -221 2358 845 659 1279 1314 -1860 -829 -1982 -1318 -2138 -1026 -89 -2331 -934 -1109 1385 1452 1288 1815 1502 1330 1194 -268 -1553 -1911 -651 508 1431 1163 354 1420 -1477 -1851 -2580 363 -2418 -1963 -321 -371 1556 1456 577 -972 129 -3469 -186 -413 -824 564 -16 -176 -160 2325 378 1686 682 -1139 256 2160 26 1067 178 -319 -1308 738 -490 1210 1557 -85 1217 -471 -2948 -1088 SS 20240127T173116.6Z 8792.730053 390 1 27.01 2 61.46 180.93 119.04 335.61 0.00 1 0.00 1 0 17 2.142e-02 5.795e-03 1.289e-02 2.373e-03 3.390745e-01 1.158000e-03 4.075838e-03 -6.000000e+00 1.180239e-02 223.95 -2.00 3.55 -2.00 318.21 0.00e+00 9.386953e-04 2.098922e-04 1.055874e-04 -6.000000e+00 5.076794e-04 272.40 -2.00 20.00 -2.00 317.66 0.00e+00 2.083 0.000 302.00 328.00 3 4.8802e+00 3.0900e-03 2.6695e-02 -6.0000e+00 2.9184e-02 1.6470e-02 3.5162e-03 1.7288e-02 -6.0000e+00 3.1888e-02 -2.3522e-03 2.3659e-03 8.6695e-03 -6.0000e+00 1.8934e-02 -2.2925e-03 1.2430e-03 2.6531e-03 -6.0000e+00 8.0401e-03 3.3912e-04 1.2680e-04 6.5326e-05 2.6082e-05 -6.0000e+00 5.4554e-04 -6.5259e-03 1.1803e-04 10 0 0 10 0 0 99.88 17.61 0.42 -0.00653 -0.00557 23 23 2 8 0 1174.050 15.00 17.61 13.65 21.17 21.06 20.2 998.30 -10478 3088 -6575 -4287 -8964 -4294 -8262 46 -4963 -781 -3353 -4499 -3814 -3081 1180 -2799 5562 -1304 496 -372 3149 -1329 2073 1627 459 91 -1855 -636 -3958 -4115 -236 1339 1056 -17 -3591 -1952 -5375 -1373 -832 54 -860 -450 776 -371 423 -443 -75 -1193 331 -342 1149 1080 977 998 872 1393 929 400 554 241 850 1955 1124 2267 -78 405 20 -828 453 -127 638 -27 276 174 389 -204 -808 -1005 -587 -981 -956 -719 -1784 -1642 -940 -386 -211 69 284 414 377 525 106 406 176 -10 727 640 324 -196 101 -1031 -850 -275 -669 -980 -786 -382 66 120 254 491 -134 -202 -133 331 -24 252 -52 290 -284 -20 405 83 803 348 728 927 509 62 234 74 -302 -28 -31 -1 136 23 99 -125 -263 -464 -523 -602 172 -421 -252 -483 -236 -507 3 -372 -60 -260 -369 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