File name: Pandora206s1_BuffaloNY_20250125_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20250126T053047.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20250125_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: United States Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20250125 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]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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 20250125T161259.5Z 9156.675689 226 1 28.99 2 64.12 160.34 77.94 209.30 0.00 1 0.00 1 0 17 5.341e-01 4.853e-02 3.172e-01 3.729e-02 3.591467e-01 1.896257e-02 5.096617e-03 -6.000000e+00 3.017312e-01 223.87 -2.00 3.55 -2.00 319.32 0.00e+00 -4.788806e-03 4.745867e-03 2.561953e-03 -6.000000e+00 1.517630e-02 272.40 -2.00 20.00 -2.00 318.80 0.00e+00 2.278 0.000 302.00 328.00 3 7.5495e+00 5.2067e-02 2.9937e-02 -6.0000e+00 7.4502e-01 -5.3542e-02 6.1219e-02 2.0893e-02 -6.0000e+00 8.1574e-01 9.1551e-02 4.9411e-02 1.4405e-02 -6.0000e+00 4.8106e-01 -2.2929e-02 2.6127e-02 6.7601e-03 -6.0000e+00 2.0956e-01 1.8987e-05 -1.4176e-03 1.1049e-03 5.9607e-05 -6.0000e+00 1.4387e-02 4.1676e-03 0.0000e+00 12 8 8 10 0 0 -84.11 17.48 1.96 0.00417 -0.00649 18 18 1 8 0 1610.280 15.00 17.48 1.41 21.17 20.96 22.7 918.08 -84177 900000 900000 900000 900000 900000 900000 -56787 268331 169911 900000 -120492 204362 80271 111007 74379 344700 900000 4262 38193 92951 25218 142284 -50289 17235 54225 -17609 68038 -2530 42778 -11916 15580 3161 -6882 -11089 -14181 -7764 21349 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-4273 -1263 3244 -4638 4777 -2497 10375 -12538 3791 4007 5567 -1226 3231 4509 -3927 -3623 -1797 5390 -5715 1427 200 6228 -2120 2887 -1122 1390 -2740 -506 3509 -28 2901 243 4088 -8420 -1160 -1984 4436 -1169 -1670 -238 -2182 1696 -4327 9542 -13026 -5200 4526 3756 -1289 3062 11242 3801 -1997 -1568 732 232 -8109 2714 721 2169 3432 -2342 1439 -3852 SS 20250125T173714.4Z 9156.734194 275 1 26.20 2 61.81 182.59 86.99 224.94 0.00 1 0.00 1 0 17 2.198e-02 6.037e-03 2.091e-02 3.648e-03 3.420342e-01 1.781609e-03 4.151622e-03 -6.000000e+00 1.214212e-02 223.87 -2.00 3.55 -2.00 318.27 0.00e+00 1.266549e-03 3.291515e-04 1.769666e-04 -6.000000e+00 5.209343e-04 272.40 -2.00 20.00 -2.00 317.73 0.00e+00 2.107 0.000 302.00 328.00 3 5.0554e+00 4.7586e-03 2.7041e-02 -6.0000e+00 3.0022e-02 1.1203e-02 5.4081e-03 1.7631e-02 -6.0000e+00 3.2772e-02 -1.4560e-03 3.6732e-03 8.8036e-03 -6.0000e+00 1.9462e-02 -2.4113e-03 1.9419e-03 2.8060e-03 -6.0000e+00 8.2923e-03 2.7689e-04 -9.6657e-05 1.0032e-04 2.7809e-05 -6.0000e+00 5.5932e-04 6.8172e-03 0.0000e+00 10 0 0 10 0 0 99.99 17.50 0.41 0.00682 0.00609 10 10 1 8 0 2619.370 14.99 17.50 4.05 21.17 20.96 23.1 936.78 -9313 -713 3028 -9733 -9934 -7003 -223 -6071 -8138 650 -3134 -3121 1272 -986 1263 3506 872 2463 356 -2665 3552 -852 5008 -1244 -1538 -1777 1001 735 -2709 -2010 655 1254 13 -3061 -2845 -2459 -3799 -2418 1135 -880 -1722 -395 551 -515 43 -1239 -883 1039 592 -28 51 1144 1711 1337 1769 886 1764 720 279 -902 650 621 1359 1640 465 -336 -1469 46 489 243 1073 153 -98 1004 233 -574 -213 -1518 -1350 -1946 -620 -768 -2214 -932 -606 -601 160 -83 414 470 471 262 15 -103 388 387 361 961 537 66 32 -774 -742 -436 -408 -699 -640 -153 -476 137 447 279 -12 45 38 295 -270 -292 -170 267 -475 -286 253 390 -50 694 559 1466 525 35 405 98 -71 -24 -248 -335 -55 315 29 -256 96 -438 -356 -498 -40 170 -597 -555 -361 -11 -367 -566 45 -222 -227 103 -96 136 423 115 336 52 -421 541 -133 755 -214 -280 -339 189 132 -486 -357 124 250 3 -753 -649 -536 -920 -668 366 -332 -728 -173 248 -238 20 -581 -409 465 265 -13 25 576 909 761 1044 538 1086 447 169 -547 398 397 949 1203 352 -245 -1016 30 343 190 919 134 -86 863 187 -430 -149 -1026 -959 -1540 -531 -712 -2244 -941 -654 -676 188 -101 504 551 525 276 14 -101 390 422 428 1235 723 91 41 -944 -861 -516 -513 -902 -863 -210 -692 207 705 451 -19 68 54 406 -373 -420 -255 411 -748 -440 389 573 -72 949 748 1955 745 53 625 158 -116 -40 -428 -610 -102 581 54 -473 170 -767 -604 SS 20250125T174256.8Z 9156.738157 278 1 4.92 2 61.87 184.12 87.71 225.92 0.00 1 0.00 1 0 17 3.244e-02 7.063e-03 3.360e-02 6.077e-03 3.451445e-01 2.971085e-03 4.205856e-03 -6.000000e+00 1.789516e-02 223.87 -2.00 3.55 -2.00 318.24 0.00e+00 3.230133e-04 5.414297e-04 2.082428e-04 -6.000000e+00 7.688110e-04 272.40 -2.00 20.00 -2.00 317.70 0.00e+00 2.111 0.000 302.00 328.00 3 4.1752e+00 7.9242e-03 2.7161e-02 -6.0000e+00 4.4244e-02 3.1789e-03 9.0049e-03 1.7678e-02 -6.0000e+00 4.8320e-02 -3.2188e-03 6.0597e-03 8.8803e-03 -6.0000e+00 2.8693e-02 -3.7602e-03 3.1918e-03 2.5654e-03 -6.0000e+00 1.2207e-02 6.6855e-04 -1.2403e-03 1.6688e-04 2.6516e-05 -6.0000e+00 8.2561e-04 1.6622e-02 0.0000e+00 12 9 1 12 1 1 94.40 17.51 0.52 0.01662 0.00730 3 11 1 8 0 1228.030 15.00 17.51 4.10 21.17 20.96 23.2 937.62 -15592 -14904 -1884 -12322 3544 -16992 2722 -10423 -209 -7731 -7296 -5626 -3384 800 -4611 -474 -3755 -207 -635 2750 2475 718 482 -2168 -2031 2602 -2292 -2518 -327 -3087 1755 -884 2773 -3976 -2092 -6273 -2054 387 -1138 424 -1023 -697 571 679 470 821 -157 1290 -508 99 2121 2074 1015 1569 20 694 1169 1251 899 446 2010 1424 2298 1856 587 -1228 430 -957 1435 14 749 -150 -211 764 -1046 -172 -653 -951 -285 -683 -668 -448 -2078 -1536 -1552 -1255 -1377 -745 -171 583 375 52 330 -386 1070 270 236 451 734 -265 93 -662 -707 658 -442 -754 -1074 -166 -286 635 217 260 169 691 156 -179 178 245 3 -211 108 -387 813 1280 170 -152 619 623 309 316 -388 -127 -420 372 -319 143 -14 180 -110 -17 -114 -628 -324 -906 -968 -113 -786 176 -947 138 -652 -14 -577 -562 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