File name: Pandora206s1_BuffaloNY_20220730_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T035947.2Z 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_20220730_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: 20220730 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 20220730T105150.2Z 8246.452664 63 1 29.56 2 82.77 71.47 98.04 58.06 0.00 1 0.00 1 0 17 5.256e-01 1.765e-02 3.341e-01 7.885e-03 9.559729e-01 4.447742e-03 1.068237e-02 -6.000000e+00 2.988076e-01 232.44 -2.00 3.55 -2.00 322.35 0.00e+00 8.523250e-03 2.898219e-03 1.800242e-03 -6.000000e+00 1.326917e-02 287.62 -2.00 20.00 -2.00 321.87 0.00e+00 7.318 0.007 302.00 328.00 3 4.4709e-01 1.9492e-02 9.2840e-02 -6.0000e+00 7.4997e-01 8.6271e-01 2.7958e-02 6.6962e-02 -6.0000e+00 8.1249e-01 -1.1502e+00 2.6072e-02 2.8815e-02 -6.0000e+00 4.8346e-01 4.6124e-01 1.1618e-02 1.3399e-02 -6.0000e+00 2.0415e-01 9.7498e-05 -1.1141e-03 1.9833e-04 1.6293e-04 -6.0000e+00 1.3428e-02 -3.2062e-04 4.7317e-05 12 8 8 10 0 0 -20.79 18.70 0.43 -0.00032 -0.00869 99 99 1 8 0 298.510 15.00 18.70 24.40 22.09 22.09 11.2 972.08 -6595 -181176 -81389 -259070 53609 -206329 -132089 -169152 -139360 -129516 -92678 -167497 -154465 -63657 -44813 -54067 -31865 2985 -41685 -40750 29694 -14325 -35612 -64432 -88177 -68794 -51902 -35314 -59230 -81548 -40518 74656 21693 1756 22487 -8250 45728 7874 47057 13337 14293 21604 42218 22291 40499 14522 6913 31277 23362 53655 32396 32584 31201 36449 34606 39417 26136 20999 15151 9575 6020 11282 19775 18184 17969 21253 18141 16078 17332 11932 17571 12909 12451 9317 8604 3171 1589 -2805 49 3626 -566 6446 -2626 4152 -1276 2056 1309 2185 916 -828 1255 -1964 -1626 -4464 -1725 -3364 -1153 -1851 -1325 -1173 -623 -2496 -2200 -3682 -2415 -1986 -2604 -1256 -2390 -695 -962 40 -1886 -100 -1115 -155 -243 218 421 261 998 1429 1897 1172 2062 1179 1773 514 1253 689 792 385 147 101 -392 -100 53 402 -15 285 -461 -425 -1681 -51 -3293 -626 -9780 412 -3606 -1108 -2128 -1364 -1177 -713 -2576 -2808 -623 -470 -756 -401 32 -670 -721 251 -176 -548 -1387 -2441 -1587 -998 -543 -1139 -2257 -966 689 400 42 398 -190 668 194 941 441 517 764 1266 823 1246 592 314 1179 1024 1898 1619 1829 1943 2354 2395 2667 2050 1679 1212 780 523 1041 1962 2139 2266 2566 2330 2238 2679 2266 3445 2720 2537 1791 1475 507 248 -490 10 876 -170 2112 -946 1475 -511 844 563 950 401 -352 533 -820 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201 201 1 8 0 153.960 15.00 18.70 24.89 22.09 22.09 11.2 975.02 -275904 -237733 -254799 -226880 -245474 -245311 -242377 -253166 -257122 -189148 -231141 -123097 -166855 -83990 -124848 -101634 -96356 -67702 -105045 -60473 -50292 -48520 -83162 -67399 -40031 -96296 -58274 -56315 -62383 -57701 -27432 -53461 -7138 -27131 -2570 -36628 1971 -9144 6954 -1245 -4840 6875 14499 5828 8825 10007 2588 5678 1266 8403 6282 14763 9106 17415 18568 14539 12548 8918 5699 5749 7467 4946 9880 11189 8277 7693 4831 4993 6343 5874 5932 4884 3999 4422 2503 2480 2350 874 -1061 -1198 -140 370 -1439 -1070 54 -359 845 465 1482 309 1034 -1029 -455 -1483 -971 -1473 -420 -363 -318 -1080 -751 -1725 -1955 -1654 -2271 -1872 -1683 -550 -561 -150 91 143 -139 -142 -617 44 4 378 -161 183 330 1128 1238 722 1005 327 288 689 368 325 461 279 -269 -76 -95 87 6 348 -124 31 43 -494 -1027 -3008 -2073 -2857 -1837 -2141 -2139 -2265 -2997 -3604 -1620 -2880 -675 -1887 -547 -1583 -1254 -1288 -765 -1872 -725 -551 -515 -1339 -1039 -507 -2277 -958 -868 -1005 -1008 -451 -1392 -139 -697 -48 -966 40 -247 200 -47 -216 292 601 268 396 456 131 296 74 504 443 1088 786 1533 1730 1479 1350 981 619 607 801 608 1347 1744 1410 1297 861 943 1337 1325 1471 1267 1019 1144 592 522 473 189 -274 -345 -47 144 -630 -494 26 -188 457 258 810 163 502 -484 -211 -747 -567 -1027 -341 -344 -328 -1109 -715 -1473 -1503 -1292 -1935 -1664 -1589 -560 -640 -197 134 227 -224 -222 -928 64 6 587 -266 308 537 1726 1829 1031 1381 439 376 974 611 566 896 586 -604 -184 -246 235 16 966 -341 80 104 -1110 -2248 SS 20220730T111528.5Z 8246.469080 71 1 30.01 2 78.63 75.30 94.46 62.21 0.00 1 0.00 1 0 25 4.857e-01 7.071e-03 5.820e-02 1.399e-03 6.967971e-01 7.440754e-04 7.876597e-03 -6.000000e+00 2.761008e-01 232.44 -2.00 3.55 -2.00 321.23 0.00e+00 1.629769e-03 3.714676e-04 1.348978e-03 -6.000000e+00 1.226070e-02 287.62 -2.00 20.00 -2.00 320.61 0.00e+00 4.900 0.002 302.00 328.00 3 3.4039e-01 2.6219e-03 6.1454e-02 -6.0000e+00 6.9297e-01 9.6597e-02 3.6472e-03 3.8674e-02 -6.0000e+00 7.5074e-01 -1.0729e-01 3.6034e-03 1.9804e-02 -6.0000e+00 4.4672e-01 3.3350e-02 1.6966e-03 5.9760e-03 -6.0000e+00 1.8865e-01 1.4583e-03 -2.2434e-04 3.6874e-05 7.1847e-05 -6.0000e+00 1.2407e-02 -9.7850e-04 2.4093e-05 11 8 0 10 0 0 -42.11 18.69 0.28 -0.00098 -0.00266 442 442 1 8 0 67.880 14.99 18.69 25.54 22.09 22.09 11.2 978.06 -175606 -188838 -141246 -161780 -146283 -163381 -148962 -171056 -103294 -167929 -117596 -126226 -87757 -93577 -59489 -58250 -40009 -24337 -55447 -19935 -39988 -25117 -48271 -13203 -37372 -9528 -33609 -24741 -34307 -9361 -23896 -14835 -4743 -6969 -5643 -18817 -6125 -9094 4773 -4017 3613 -365 3616 960 3406 457 3624 1722 -795 2857 2598 5463 2375 4696 3691 5683 848 3913 1907 2358 1866 2579 4487 4193 3572 1259 2404 281 2392 1445 1815 1154 1526 543 455 -284 -348 -1456 -877 -863 -1428 -289 -2335 -1373 -1149 -147 -285 430 652 605 753 -107 -312 -218 -10 -674 443 226 236 -498 -532 -855 -791 -805 -1140 -1093 -1057 -520 -380 196 530 590 124 250 -240 157 -51 279 -127 4 -42 92 442 342 723 -72 388 520 470 104 142 47 -217 -171 -85 -163 76 224 -25 -58 -86 -83 -355 -1389 -2009 -1021 -1390 -978 -1315 -1158 -1913 -676 -2314 -1027 -1395 -862 -1264 -730 -858 -557 -325 -1104 -296 -747 -404 -1054 -227 -887 -183 -844 -547 -819 -194 -707 -480 -164 -264 -199 -760 -247 -454 259 -289 272 -31 308 86 302 43 338 171 -86 321 333 696 343 730 617 973 158 701 337 408 338 517 1014 1081 966 337 640 80 744 530 729 484 625 210 160 -89 -104 -453 -311 -368 -716 -165 -1481 -910 -818 -110 -224 344 520 460 528 -71 -202 -148 -7 -611 422 250 280 -584 -581 -837 -769 -806 -1140 -1143 -1171 -618 -497 287 860 928 195 409 -371 233 -77 445 -216 6 -72 150 698 519 1048 -101 526 753 780 179 268 96 -462 -386 -193 -385 182 546 -62 -134 -200 -182 -754 SS 20220730T112408.5Z 8246.475098 74 1 29.74 2 77.10 76.70 93.11 63.70 0.00 1 0.00 1 0 17 3.241e-01 5.632e-03 3.336e-02 9.550e-04 6.274405e-01 5.011227e-04 7.061213e-03 -6.000000e+00 1.842559e-01 232.44 -2.00 3.55 -2.00 320.85 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