File name: Pandora155s1_BostonMA_20250703_L2Fit_fout2c9d20240425p1-8.txt File generation date: 20250704T045809.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Jeff Geddes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 155 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora155_OF_v7d20190702.txt Instrument calibration file used: Pandora155s1_CF_v9d20240425.txt Level 1 file used: Pandora155s1_BostonMA_20250703_L1_smca1c9d20240425p1-8.txt Full location name: Boston University Short location name: BostonMA Country of location: USA Location latitude [deg]: 42.3497 Location longitude [deg]: -71.1040 Location altitude [m]: 40 Local noon date: 20250703 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 232 374 Nominal wavelengths inside fitting window [nm]: 305.0903 305.2311 305.3720 305.5128 305.6537 305.7945 305.9353 306.0761 306.2169 306.3576 306.4984 306.6391 306.7799 306.9206 307.0613 307.2020 307.3427 307.4834 307.6241 307.7647 307.9054 308.0460 308.1866 308.3273 308.4679 308.6085 308.7490 308.8896 309.0302 309.1707 309.3113 309.4518 309.5923 309.7328 309.8733 310.0138 310.1543 310.2947 310.4352 310.5756 310.7160 310.8565 310.9969 311.1372 311.2776 311.4180 311.5584 311.6987 311.8390 311.9794 312.1197 312.2600 312.4003 312.5406 312.6808 312.8211 312.9613 313.1016 313.2418 313.3820 313.5222 313.6624 313.8026 313.9428 314.0829 314.2231 314.3632 314.5033 314.6434 314.7835 314.9236 315.0637 315.2038 315.3438 315.4839 315.6239 315.7639 315.9039 316.0439 316.1839 316.3239 316.4638 316.6038 316.7437 316.8837 317.0236 317.1635 317.3034 317.4433 317.5831 317.7230 317.8629 318.0027 318.1425 318.2823 318.4221 318.5619 318.7017 318.8415 318.9812 319.1210 319.2607 319.4005 319.5402 319.6799 319.8196 319.9592 320.0989 320.2386 320.3782 320.5178 320.6575 320.7971 320.9367 321.0762 321.2158 321.3554 321.4949 321.6345 321.7740 321.9135 322.0530 322.1925 322.3320 322.4715 322.6109 322.7504 322.8898 323.0292 323.1686 323.3080 323.4474 323.5868 323.7262 323.8655 324.0049 324.1442 324.2835 324.4228 324.5621 324.7014 324.8407 324.9800 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250703T110946.5Z 9315.465121 66 1 50.38 2 71.06 75.87 147.73 2.84 0.00 1 0.00 1 0 17 4.942e-02 5.431e-03 7.580e-03 6.345e-04 4.190010e-01 3.273250e-04 4.828661e-03 -6.000000e+00 2.902323e-02 232.99 -2.00 3.54 -2.00 319.51 0.00e+00 1.351879e-03 9.120760e-05 2.814531e-04 -6.000000e+00 1.290511e-03 287.32 -2.00 20.00 -2.00 318.71 0.00e+00 3.043 0.000 302.00 328.00 3 1.2507e+00 9.4167e-04 3.7788e-02 -6.0000e+00 7.2876e-02 1.3344e-02 1.1080e-03 2.2307e-02 -6.0000e+00 7.8869e-02 -8.9251e-03 8.2623e-04 1.0873e-02 -6.0000e+00 4.6917e-02 -5.4414e-03 4.2704e-04 3.3038e-03 -6.0000e+00 1.9581e-02 4.3959e-03 2.7634e-04 1.8958e-05 3.4477e-05 -6.0000e+00 1.3968e-03 3.2530e-03 0.0000e+00 10 0 0 10 0 0 17.58 23.60 0.34 0.00325 0.00533 531 103 1 5 0 94.680 26.51 20.01 23.60 31.88 6.6 1053.11 -16612 -9519 -17064 -11588 -22360 -17243 -16255 -12834 -15559 -14784 -15444 -15447 -11763 -6046 -3259 -3567 -1275 -2814 -927 -1886 -845 -2715 -512 -967 -1031 -1344 -3584 -2852 -4494 -1143 -181 1026 176 -1679 -4302 -2399 -3323 -1303 -1398 -750 -1265 -520 -284 -356 1044 19 253 -210 314 473 1546 996 1799 1231 1244 1316 748 313 43 604 1216 1795 1814 1943 223 601 132 123 1212 712 254 326 161 287 -283 -250 -529 -1015 -195 -1727 -1098 -1462 -2080 -1390 -633 -402 -28 176 602 411 567 544 236 640 95 65 333 567 -256 -551 -451 -625 63 139 -1042 -1159 -619 -600 242 296 419 4 314 130 313 408 465 192 86 -507 -563 -4 223 79 449 152 503 1348 380 56 87 -270 -42 192 -85 -334 78 167 -195 -246 21 -338 -27 -391 -231 -460 -279 -553 -405 -413 -358 -496 -493 -534 -591 -516 -302 -187 -232 -87 -210 -72 -154 -70 -231 -45 -91 -94 -128 -346 -287 -448 -115 -20 117 22 -221 -555 -309 -485 -222 -289 -179 -332 -143 -81 -103 300 6 74 -62 93 147 514 363 699 511 538 586 341 142 19 269 565 907 1011 1064 124 343 73 69 682 456 177 234 114 193 -176 -153 -301 -579 -121 -1151 -827 -1226 -1880 -1321 -640 -433 -29 186 630 445 568 503 207 568 93 71 382 720 -344 -726 -551 -699 73 155 -1260 -1477 -827 -847 365 449 675 7 498 194 467 584 675 294 131 -811 -901 -6 334 122 663 214 687 1900 591 89 146 -471 -75 365 -161 -661 158 343 -400 -486 42 -656 -52 SS 20250703T111151.9Z 9315.466573 68 1 50.28 2 70.69 76.19 147.71 3.76 0.00 1 0.00 1 0 17 4.592e-02 5.368e-03 6.570e-03 5.876e-04 4.115235e-01 3.021197e-04 4.750489e-03 -6.000000e+00 2.696700e-02 232.99 -2.00 3.54 -2.00 319.44 0.00e+00 1.346653e-03 8.222272e-05 3.322652e-04 -6.000000e+00 1.199074e-03 287.32 -2.00 20.00 -2.00 318.63 0.00e+00 2.988 0.000 302.00 328.00 3 1.1882e+00 8.6395e-04 3.7102e-02 -6.0000e+00 6.7713e-02 1.2999e-02 1.0139e-03 2.1890e-02 -6.0000e+00 7.3281e-02 -8.7876e-03 7.5029e-04 1.0673e-02 -6.0000e+00 4.3593e-02 -4.7607e-03 3.8851e-04 3.1951e-03 -6.0000e+00 1.8194e-02 4.9792e-03 2.0687e-04 1.7552e-05 3.4282e-05 -6.0000e+00 1.2978e-03 3.2159e-03 0.0000e+00 10 0 0 10 0 0 23.42 23.61 0.32 0.00322 0.00477 571 110 1 5 0 88.050 26.51 20.00 23.61 31.88 6.6 1053.12 -13889 -12558 -8327 -17062 -15586 -19548 -15983 -15527 -13549 -13602 -15362 -11567 -10065 -4504 -4472 -2507 -4164 -810 -833 -1168 -1949 -1475 -1395 -1201 -1092 -1508 -2916 -2582 -2011 -1756 -268 796 1025 -2453 -3268 -3446 -2643 -1487 -1056 -930 -1034 -595 -427 -49 363 231 58 202 -767 1142 1339 1117 1374 1403 1019 1188 833 137 391 565 1330 1794 1666 2059 431 437 335 221 1566 550 288 338 126 324 -256 -198 -410 -709 -264 -1108 -1174 -1383 -2131 -1250 -849 -418 -205 131 412 283 564 367 249 663 193 -15 426 468 -284 -563 -402 -663 96 12 -988 -1168 -593 -575 239 353 388 81 339 188 317 519 388 178 103 -472 -570 -26 195 83 542 135 533 1299 500 63 80 -356 -24 64 -24 -336 84 137 -232 -191 -20 -283 -39 -346 -343 -224 -471 -391 -510 -439 -481 -457 -484 -572 -457 -465 -237 -277 -172 -313 -63 -69 -101 -157 -131 -130 -109 -105 -152 -295 -274 -206 -188 -29 95 134 -339 -436 -468 -399 -265 -226 -231 -282 -170 -126 -15 109 70 17 61 -237 363 461 419 552 599 455 545 390 64 179 259 634 931 875 1154 245 255 188 127 895 360 205 248 92 222 -162 -123 -237 -411 -167 -745 -898 -1175 -1954 -1202 -872 -421 -216 141 438 287 574 344 221 595 190 -15 492 599 -385 -746 -495 -749 102 14 -1203 -1502 -798 -818 362 538 629 134 540 281 475 745 565 273 158 -755 -916 -41 295 130 802 191 730 1836 779 99 133 -622 -44 120 -45 -663 168 280 -474 -377 -38 -547 -75 SS 20250703T111357.0Z 9315.468021 70 1 50.25 2 70.31 76.51 147.70 4.69 0.00 1 0.00 1 0 17 4.200e-02 5.383e-03 5.789e-03 5.495e-04 4.049064e-01 2.826510e-04 4.678838e-03 -6.000000e+00 2.466363e-02 232.99 -2.00 3.54 -2.00 319.36 0.00e+00 8.052531e-04 7.460528e-05 2.963484e-04 -6.000000e+00 1.096637e-03 287.32 -2.00 20.00 -2.00 318.54 0.00e+00 2.935 0.000 302.00 328.00 3 1.1324e+00 8.0393e-04 3.6463e-02 -6.0000e+00 6.1929e-02 1.0581e-02 9.4086e-04 2.1530e-02 -6.0000e+00 6.7022e-02 -7.9739e-03 6.8477e-04 1.0436e-02 -6.0000e+00 3.9869e-02 -4.4373e-03 3.5451e-04 2.9416e-03 -6.0000e+00 1.6640e-02 5.6008e-03 1.9563e-04 1.6437e-05 3.2404e-05 -6.0000e+00 1.1870e-03 3.1114e-03 0.0000e+00 10 0 0 10 0 0 13.33 23.62 0.32 0.00311 0.00458 624 121 1 5 0 80.520 26.51 20.01 23.62 31.90 6.6 1053.58 -7542 -9802 -13228 -14451 -18230 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