File name: Pandora206s1_BuffaloNY_20231012_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T063519.5Z 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_20231012_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: 20231012 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 20231012T133735.2Z 8685.567768 143 1 20.16 2 68.42 124.00 47.19 137.16 0.00 1 0.00 1 0 17 2.158e-02 5.302e-03 1.507e-02 2.247e-03 3.477635e-01 1.110448e-03 4.179558e-03 -6.000000e+00 1.199237e-02 225.90 -2.00 3.55 -2.00 318.60 0.00e+00 7.121363e-04 2.307276e-04 1.203266e-04 -6.000000e+00 5.324445e-04 282.06 -2.00 20.00 -2.00 317.86 0.00e+00 2.694 0.000 302.00 328.00 3 3.7775e+00 3.0219e-03 3.1879e-02 -6.0000e+00 2.9689e-02 2.0026e-02 3.4672e-03 1.8093e-02 -6.0000e+00 3.2334e-02 -1.0086e-02 2.3894e-03 8.9350e-03 -6.0000e+00 1.9278e-02 -2.0568e-03 1.2555e-03 2.6093e-03 -6.0000e+00 8.2280e-03 5.7213e-04 -4.8155e-04 6.2404e-05 2.6374e-05 -6.0000e+00 5.4997e-04 -1.3486e-02 2.6228e-05 12 1 1 12 1 1 99.97 18.07 0.20 -0.01349 -0.01710 35 48 2 8 0 559.990 15.00 18.07 19.88 21.58 21.48 19.2 956.21 -1404 -6738 -2145 1904 -5683 -7202 -2839 -8743 -98 -15317 1860 -5311 -3895 -2993 -2543 568 -1555 -956 -994 449 -118 -846 357 -63 -1072 693 -749 -244 -2275 406 382 2233 2622 -1186 -2524 -4355 -1971 -2038 -1879 -460 -1627 -473 100 -670 381 -331 -446 -375 -698 1042 600 1074 1234 1567 1317 764 1619 765 277 197 1114 1015 2036 1651 342 -604 -619 -1003 -189 375 335 379 505 457 148 -195 -742 -475 -536 -422 -1018 -669 -2230 -1605 -908 -437 -348 -34 356 361 802 206 343 340 489 -130 338 611 267 -114 140 -756 -591 -169 -605 -951 -717 -475 -347 352 289 149 -53 35 0 251 102 100 80 -67 -232 0 458 -48 612 113 344 954 792 249 287 75 -202 -18 -91 -111 -113 156 5 -86 -95 -394 -411 -58 -326 -104 84 -260 -323 -131 -483 -6 -995 111 -354 -299 -244 -242 60 -176 -114 -125 58 -16 -111 48 -9 -166 111 -123 -38 -365 64 66 381 496 -245 -488 -836 -410 -494 -553 -159 -625 -188 41 -281 158 -139 -186 -154 -287 428 266 516 629 851 745 444 957 454 161 114 656 595 1300 1150 243 -401 -387 -622 -125 283 278 327 434 376 113 -133 -506 -311 -374 -311 -855 -625 -2097 -1566 -947 -486 -407 -41 428 416 847 201 335 325 504 -140 405 762 356 -149 184 -918 -666 -197 -775 -1191 -939 -656 -506 552 453 238 -82 55 0 336 137 142 121 -109 -380 1 712 -71 860 154 475 1333 1123 383 469 119 -329 -31 -165 -212 -220 290 10 -167 -175 -703 -714 SS 20231012T134333.7Z 8685.571917 145 1 2.11 2 67.52 125.27 46.49 138.93 0.00 1 0.00 1 0 17 2.884e-02 6.858e-03 2.184e-02 3.917e-03 3.318777e-01 1.927682e-03 4.006476e-03 -6.000000e+00 1.602451e-02 225.90 -2.00 3.55 -2.00 318.34 0.00e+00 1.037914e-03 3.697459e-04 1.141028e-04 -6.000000e+00 7.114883e-04 282.06 -2.00 20.00 -2.00 317.61 0.00e+00 2.594 0.000 302.00 328.00 3 2.7704e+00 5.1901e-03 3.0596e-02 -6.0000e+00 3.9671e-02 3.0351e-03 5.9227e-03 1.7241e-02 -6.0000e+00 4.3207e-02 -1.4918e-02 3.9242e-03 8.5263e-03 -6.0000e+00 2.5760e-02 3.2699e-03 2.0487e-03 2.5354e-03 -6.0000e+00 1.0994e-02 1.7776e-03 -6.7102e-04 1.0847e-04 2.5599e-05 -6.0000e+00 7.3493e-04 -1.2994e-02 3.2160e-05 12 9 1 12 1 1 96.04 18.07 0.33 -0.01299 -0.01804 8 61 2 8 0 234.280 15.00 18.07 20.27 21.58 21.48 19.2 959.40 -4021 3803 -9743 -7217 -4362 -13293 692 -9395 7820 -7705 819 -7646 2591 -6936 2721 -1693 1898 -541 601 877 -346 3295 -1415 3679 -1699 2891 -2716 1708 -15984 3139 1918 2359 1482 611 -2523 -3995 227 -3828 869 -545 26 -1320 682 -1423 862 -1003 -29 -585 -981 156 984 2243 1079 1496 219 1415 832 596 910 155 376 1337 1605 1304 655 -200 -349 -303 410 107 865 505 454 474 512 -975 -443 -1095 -426 -586 -1325 -988 -2113 -1162 -1155 -615 -304 450 149 410 366 612 -89 29 752 -93 884 537 98 -658 27 -729 -845 -228 -310 -999 -803 -508 -336 294 515 186 171 259 -125 853 -413 379 -224 -109 -178 13 274 4 842 218 887 1129 589 52 480 -432 -234 -550 490 -282 68 132 -96 -30 59 -233 -749 -218 212 -651 -445 -236 -732 37 -597 487 -580 58 -607 216 -724 302 -222 254 -78 90 137 -56 505 -234 620 -318 541 -544 308 -3196 521 354 475 334 146 -573 -896 54 -1069 281 -206 11 -578 304 -637 388 -464 -13 -262 -439 70 470 1113 575 847 127 825 500 358 546 93 225 861 1102 975 496 -141 -238 -203 292 83 734 437 392 402 413 -713 -301 -741 -296 -455 -1143 -923 -2085 -1186 -1237 -686 -356 527 175 474 400 627 -87 28 766 -102 1046 683 133 -883 34 -880 -975 -271 -386 -1314 -1078 -702 -490 449 820 296 270 389 -177 1154 -569 542 -331 -171 -277 20 416 6 1205 301 1181 1524 851 79 760 -699 -385 -928 857 -511 126 250 -179 -55 106 -412 -1300 SS 20231012T135455.4Z 8685.579808 151 1 6.30 2 65.85 127.74 45.23 142.40 0.00 1 0.00 1 0 17 1.647e-02 6.412e-03 2.130e-02 4.503e-03 3.134061e-01 2.214742e-03 3.791880e-03 -6.000000e+00 9.159360e-03 225.90 -2.00 3.55 -2.00 317.99 0.00e+00 8.611075e-04 3.870847e-04 9.064842e-05 -6.000000e+00 4.064556e-04 282.06 -2.00 20.00 -2.00 317.26 0.00e+00 2.427 0.000 302.00 328.00 3 4.2734e+00 5.9131e-03 2.8713e-02 -6.0000e+00 2.2675e-02 2.0399e-02 6.7178e-03 1.6275e-02 -6.0000e+00 2.4692e-02 2.6862e-03 4.3101e-03 8.0238e-03 -6.0000e+00 1.4722e-02 -7.6256e-03 2.2283e-03 2.3872e-03 -6.0000e+00 6.2859e-03 4.6843e-04 -1.4270e-04 1.2431e-04 2.4087e-05 -6.0000e+00 4.1975e-04 -1.4560e-02 1.1469e-04 12 9 1 12 9 1 99.66 18.07 -0.02 -0.01456 -0.01563 5 26 2 8 0 1048.420 15.00 18.07 21.10 21.58 21.48 19.4 964.55 -1926 6400 -2179 -8072 20 -25 -5710 -1043 -2011 -3182 -399 -4434 666 -6132 -741 -1078 3266 853 -498 121 -1194 1200 2138 296 -1792 -318 -3087 1898 -3253 -1584 2335 1130 1422 1761 -1083 -3291 -1339 -2268 -1458 -1069 -804 -1497 438 -594 1080 -779 -679 -922 -672 506 1432 1368 -108 608 741 798 610 1354 868 1127 1585 2904 1065 1184 -199 4 -64 -2983 851 -72 1048 398 1215 -97 631 -693 129 -278 -824 -1016 -646 -966 -1518 -1625 -820 -471 -206 20 -195 524 -61 -13 -103 576 714 178 522 500 586 -851 20 150 -379 -353 -431 -1192 -832 -702 148 11 124 216 -73 431 -210 253 -260 276 168 -54 -551 -75 470 102 975 421 480 1083 738 97 523 276 103 -405 19 -30 -414 255 208 -400 -295 -589 -210 -124 423 -164 -609 1 -1 -389 -76 -167 -277 -34 -409 68 -755 -101 -166 506 142 -88 22 -228 220 398 60 -392 -72 -723 398 -665 -319 493 263 365 473 -275 -831 -367 -707 -530 -460 -369 -722 215 -298 532 -393 -338 -452 -325 244 733 738 -62 373 458 502 394 864 558 715 1033 1968 786 921 -158 3 -46 -2158 632 -59 909 362 1093 -85 520 -530 91 -193 -595 -820 -572 -933 -1540 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