File name: Pandora206s1_BuffaloNY_20230320_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T053146.2Z 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_20230320_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: 20230320 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 20230320T123930.0Z 8479.527430 59 1 23.94 2 76.18 103.46 75.48 120.83 0.00 1 0.00 1 0 17 3.235e-01 1.606e-02 3.559e-01 1.578e-02 6.166030e-01 8.531532e-03 6.889986e-03 -6.000000e+00 1.841457e-01 226.21 -2.00 3.55 -2.00 321.06 0.00e+00 -4.379350e-03 3.692047e-03 5.503208e-04 -6.000000e+00 9.461775e-03 274.98 -2.00 20.00 -2.00 320.56 0.00e+00 4.093 0.001 302.00 328.00 3 3.9216e+00 2.7231e-02 5.1611e-02 -6.0000e+00 4.6106e-01 2.4187e-02 3.6545e-02 3.3110e-02 -6.0000e+00 5.0593e-01 -2.2864e-02 3.8639e-02 1.7542e-02 -6.0000e+00 2.9540e-01 6.0841e-03 1.8915e-02 6.6191e-03 -6.0000e+00 1.2651e-01 9.6933e-05 2.8015e-05 4.6207e-04 6.8663e-05 -6.0000e+00 8.6871e-03 7.6475e-03 -6.7648e-05 12 9 9 12 1 1 100.00 17.56 0.58 0.00765 0.00786 22 19 3 8 0 1033.550 15.00 17.56 5.89 21.17 20.96 14.5 961.30 900000 -43050 900000 4731 900000 50578 900000 900000 -143905 900000 900000 900000 -77993 900000 -129788 900000 -77731 900000 -34811 65957 121497 -8458 900000 -9038 108757 -1608 81171 -32130 31315 -23744 95687 106528 13011 9865 42411 7967 66195 33306 22321 30852 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1383 1163 1217 761 368 208 -137 1 -1982 499 3534 2273 -3059 477 -3064 -937 -637 -539 -392 -1062 952 -85 -1586 -376 -2941 2732 616 40 1059 -360 397 -303 1896 1445 -1114 1513 -1437 726 163 3451 101 1064 -2715 1725 -747 -924 -1844 1968 -308 223 -117 -2316 1244 SS 20230320T124613.2Z 8479.532097 62 1 28.00 2 74.99 104.68 74.44 122.09 0.00 1 0.00 1 0 17 4.519e-01 2.515e-02 3.417e-01 2.058e-02 5.655079e-01 1.103300e-02 6.181226e-03 -6.000000e+00 2.598947e-01 226.22 -2.00 3.55 -2.00 320.39 0.00e+00 9.929869e-03 4.037590e-03 1.628720e-03 -6.000000e+00 1.432351e-02 274.98 -2.00 20.00 -2.00 319.90 0.00e+00 3.787 0.001 302.00 328.00 3 6.1204e+00 3.2779e-02 5.0082e-02 -6.0000e+00 6.4482e-01 2.3795e-01 4.1386e-02 3.8569e-02 -6.0000e+00 7.0527e-01 6.0781e-03 4.1606e-02 1.9256e-02 -6.0000e+00 4.1295e-01 -3.2899e-02 2.1198e-02 1.7614e-02 -6.0000e+00 1.7773e-01 1.2488e-05 4.4316e-03 5.8547e-04 1.1298e-04 -6.0000e+00 1.2199e-02 -2.1210e-03 1.0759e-03 12 8 8 10 0 0 99.97 17.57 0.57 -0.00212 0.03118 7 7 2 8 0 4000.000 15.00 17.57 6.04 21.17 20.96 14.6 962.66 194505 900000 900000 -74523 900000 900000 900000 900000 -134535 -138214 900000 900000 900000 900000 8085 130137 900000 193721 51744 57570 900000 900000 150665 216624 -50868 10299 900000 34917 132571 16579 -12126 51108 -967 30494 57633 -1641 24320 36206 20221 -1670 12207 -7733 42522 11861 4771 420 -31003 -42999 33063 7909 7645 10870 -3061 9710 -8881 4015 4726 5693 2294 -591 2062 10321 -3343 1834 -3162 -882 304 2687 1110 -7076 10195 1819 2682 -695 5853 3595 2062 9015 -2889 -8376 -620 -301 -4298 1066 -373 -1522 -325 -604 -1013 2169 -2732 463 -908 241 -12 -154 -504 2417 2889 1410 1325 914 -1394 -237 906 -3487 -836 3652 1541 -498 -585 666 -4368 -7 311 2981 -4289 -260 365 -331 938 526 -345 -1888 2872 -1782 -207 1389 3194 -761 1409 528 152 -310 -974 -426 -697 496 692 1252 305 -1068 -977 3892 900000 900000 -1491 900000 900000 900000 900000 -3300 -3747 900000 900000 900000 900000 162 2604 900000 3877 1035 1152 900000 900000 3015 4335 -2863 339 900000 932 2653 586 -673 1841 -64 1634 2268 -111 1413 2174 1669 -204 1435 -1180 4175 1639 725 69 -6937 -11186 4301 1395 1501 2284 -774 2332 -2671 1081 1287 1559 631 -167 594 3046 -1247 728 -1360 -352 117 1028 473 -3780 4995 999 1428 -358 2646 1479 803 3309 -1346 -4739 -374 -205 -3269 802 -305 -1336 -294 -561 -940 1853 -2249 342 -665 179 -10 -143 -540 2786 3534 1702 1526 946 -1347 -233 955 -4001 -983 4382 2047 -727 -931 1081 -7279 -10 435 3998 -6278 -384 552 -523 1432 798 -511 -2707 3742 -2335 -256 1792 4557 -1246 2370 939 282 -609 -2057 -904 -1502 1078 1483 2601 604 -2028 -1811 SS 20230320T131121.0Z 8479.549548 69 1 46.76 2 70.59 109.38 70.68 126.99 0.00 1 0.00 1 0 17 6.243e-02 4.838e-03 6.187e-03 4.443e-04 4.537130e-01 2.197513e-04 5.284725e-03 -6.000000e+00 3.462698e-02 226.22 -2.00 3.55 -2.00 319.56 0.00e+00 9.842713e-04 6.083170e-05 2.120488e-04 -6.000000e+00 1.493824e-03 274.98 -2.00 20.00 -2.00 319.00 0.00e+00 2.976 0.000 302.00 328.00 3 9.0328e-01 6.1680e-04 3.7405e-02 -6.0000e+00 8.5981e-02 1.9385e-02 7.2695e-04 2.3522e-02 -6.0000e+00 9.3835e-02 -1.4387e-02 5.9829e-04 1.1793e-02 -6.0000e+00 5.5707e-02 -7.2446e-04 3.1587e-04 3.6261e-03 -6.0000e+00 2.3529e-02 6.7046e-03 7.6486e-06 1.2203e-05 3.4795e-05 -6.0000e+00 1.5926e-03 7.6329e-03 5.5580e-06 10 0 0 10 0 0 99.99 17.57 0.28 0.00763 0.00769 1409 435 2 8 0 32.490 15.00 17.57 6.80 21.17 20.96 14.7 968.90 -19209 -20067 -15094 -23945 -23982 -27034 -23398 -19115 -17592 -16183 -17096 -17120 -9530 -7942 -5081 -2778 -4282 -2071 -2024 -1074 -1710 -1970 -2084 -1684 -2656 -902 -2648 -2949 -3294 -2103 274 -155 1213 -1340 -3612 -3222 -2696 -2342 -354 -725 -877 -523 -442 85 190 193 -138 -143 -323 205 957 1129 1041 1241 1005 1190 903 485 473 366 1104 1369 2025 1994 677 191 -177 -332 568 554 598 486 382 450 195 10 -682 -902 -555 -632 -946 -1059 -1944 -1478 -1018 -602 -141 152 541 470 725 347 251 281 443 157 578 631 68 -182 -320 -676 -669 -113 -895 -793 -716 -562 -219 159 314 233 161 25 -179 146 -8 225 -27 -134 -206 59 259 244 569 264 548 781 369 306 110 55 -274 14 -72 -96 96 203 -81 -76 -125 -257 -422 -371 -440 -331 -537 -480 -559 -512 -456 -469 -454 -487 -537 -338 -336 -252 -155 -261 -133 -138 -76 -124 -142 -159 -139 -236 -83 -250 -263 -281 -188 27 -18 153 -180 -459 -410 -385 -395 -72 -159 -212 -132 -117 23 50 52 -37 -39 -90 59 301 387 384 492 416 506 395 210 199 153 479 651 1067 1152 397 105 -95 -180 337 379 407 342 264 321 127 6 -372 -490 -334 -443 -696 -875 -1734 -1377 -1018 -639 -156 172 606 500 708 315 214 244 426 172 658 811 92 -241 -394 -817 -755 -134 -1069 -988 -939 -781 -326 240 510 385 258 37 -271 210 -11 346 -41 -215 -327 91 416 375 829 369 733 1095 576 484 187 98 -500 27 -138 -192 195 420 -166 -150 -235 -494 -796 SS 20230320T135038.2Z 8479.576831 93 1 46.44 2 63.99 117.28 65.27 135.30 0.00 1 0.00 1 0 17 1.775e-02 4.976e-03 1.975e-03 3.080e-04 3.492109e-01 1.515636e-04 4.163614e-03 -6.000000e+00 9.848059e-03 226.22 -2.00 3.55 -2.00 318.62 0.00e+00 6.342453e-04 3.056518e-05 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