File name: Pandora155s1_BostonMA_20250416_L2Fit_fout2c9d20240425p1-8.txt File generation date: 20250417T044935.5Z 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_20250416_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: 20250416 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 20250416T123803.8Z 9237.526433 245 1 9.08 2 62.14 101.98 101.99 244.98 0.00 1 0.00 1 0 17 3.330e-02 6.315e-03 6.854e-03 1.172e-03 4.062352e-01 5.956029e-04 4.796815e-03 -6.000000e+00 1.922551e-02 228.49 -2.00 3.54 -2.00 318.19 0.00e+00 6.839137e-04 1.110747e-04 1.839661e-04 -6.000000e+00 8.408555e-04 279.29 -2.00 20.00 -2.00 317.52 0.00e+00 2.129 0.000 302.00 328.00 3 2.2034e+00 1.6023e-03 3.0140e-02 -6.0000e+00 4.7874e-02 3.8722e-02 1.8205e-03 2.0974e-02 -6.0000e+00 5.2067e-02 -8.5314e-03 1.2003e-03 1.0332e-02 -6.0000e+00 3.0941e-02 -2.4182e-03 6.1985e-04 2.9621e-03 -6.0000e+00 1.2931e-02 3.9846e-03 2.4573e-04 3.3566e-05 3.2246e-05 -6.0000e+00 9.3981e-04 5.2149e-03 0.0000e+00 12 1 1 12 1 1 99.89 22.10 0.35 0.00521 0.00706 54 59 1 5 0 165.080 25.28 19.85 22.10 13.04 5.6 903.44 -10930 -9024 -9286 -14844 -12069 -14104 -7150 -10286 -8725 -10996 -8287 -9203 -4129 -3970 -1516 -776 -813 375 -404 2610 554 549 -464 639 -928 313 -1936 -2337 -1337 218 571 544 1452 -2258 -2840 -3337 -2544 -1737 -161 -1212 -320 -604 130 296 738 438 480 180 -424 1117 1698 1403 1313 1304 900 1373 944 488 487 715 1098 1385 1859 1756 124 -328 137 -96 1021 355 99 259 264 219 -256 -421 -764 -1039 -299 -1038 -1258 -1534 -2450 -1366 -1204 -519 -111 81 174 266 474 260 -172 547 84 30 393 484 -114 -513 -575 -763 -2 132 -813 -973 -492 -710 264 399 531 301 389 332 233 598 445 124 101 -296 -415 33 221 272 520 302 575 1333 645 48 177 -408 -158 -42 17 -324 106 231 -209 -262 -132 -494 -315 -571 -463 -488 -850 -618 -735 -379 -638 -538 -729 -548 -675 -340 -390 -170 -97 -109 53 -61 395 87 87 -77 113 -177 61 -384 -441 -242 40 117 115 334 -547 -659 -790 -668 -539 -55 -482 -138 -275 60 139 346 207 225 85 -202 547 831 747 749 790 530 828 580 298 291 456 680 933 1372 1298 93 -247 98 -70 763 301 86 230 230 192 -207 -326 -551 -749 -235 -881 -1141 -1544 -2508 -1460 -1303 -593 -133 99 208 303 526 266 -177 565 90 34 477 649 -154 -673 -735 -939 -2 160 -1018 -1283 -645 -985 389 606 816 470 613 489 335 819 618 181 150 -460 -645 50 322 396 720 419 771 1842 933 72 282 -646 -258 -69 29 -567 189 417 -376 -472 -226 -814 -535 SS 20250416T123916.0Z 9237.527269 247 1 8.46 2 61.92 102.21 102.19 245.15 0.00 1 0.00 1 0 17 3.096e-02 6.424e-03 5.061e-03 9.171e-04 4.029613e-01 4.651668e-04 4.762611e-03 -6.000000e+00 1.787445e-02 228.49 -2.00 3.54 -2.00 318.08 0.00e+00 7.532706e-04 8.419709e-05 1.555522e-04 -6.000000e+00 7.817348e-04 279.29 -2.00 20.00 -2.00 317.40 0.00e+00 2.114 0.000 302.00 328.00 3 1.7073e+00 1.2493e-03 2.9911e-02 -6.0000e+00 4.4510e-02 3.3725e-02 1.4176e-03 2.0799e-02 -6.0000e+00 4.8408e-02 -1.0178e-02 9.2039e-04 1.0216e-02 -6.0000e+00 2.8767e-02 -1.6063e-03 4.7304e-04 2.9341e-03 -6.0000e+00 1.2022e-02 6.6931e-03 2.5219e-04 2.6305e-05 3.1385e-05 -6.0000e+00 8.7374e-04 4.9815e-03 0.0000e+00 12 9 1 12 1 1 97.62 22.10 0.33 0.00498 0.00688 75 87 1 5 0 111.240 25.28 20.07 22.10 13.07 5.6 903.88 -8788 -5294 -9409 -10216 -13338 -8867 -14353 -5623 -10357 -7716 -11843 -7424 -5573 -3367 -579 -1661 -128 544 479 71 360 -1203 627 -419 404 -693 -827 -1620 -1927 -758 358 1261 1192 -1491 -3664 -2655 -2951 -869 -737 -470 -1069 -178 -107 35 796 520 613 340 214 812 1788 833 1793 1231 1287 1339 1027 609 542 692 1177 1606 2029 1426 -6 1 -243 -207 959 347 79 189 -1 229 -454 -394 -592 -1103 -475 -1325 -1091 -1663 -2275 -1581 -1031 -621 -257 -120 300 362 408 239 109 623 39 -28 426 609 -204 -428 -528 -633 -18 176 -900 -966 -559 -571 340 398 506 70 413 336 370 299 524 193 232 -367 -527 31 330 237 558 275 698 1414 528 167 54 -128 -32 29 -16 -397 80 131 -250 -266 -156 -536 -253 -450 -288 -545 -559 -761 -482 -899 -332 -712 -543 -890 -586 -509 -359 -70 -229 -19 84 78 12 62 -210 113 -75 76 -137 -161 -303 -381 -141 73 287 298 -388 -929 -676 -843 -267 -273 -201 -466 -81 -50 16 374 246 288 160 102 400 943 449 1025 751 813 870 679 400 349 444 785 1091 1509 1072 -5 1 -177 -153 725 298 69 170 -1 203 -372 -309 -430 -802 -376 -1140 -1003 -1611 -2367 -1724 -1137 -725 -298 -142 349 421 438 249 107 618 42 -32 528 796 -281 -576 -690 -757 -22 208 -1154 -1245 -754 -777 491 595 802 109 639 487 520 421 745 277 339 -563 -809 47 493 340 794 373 915 1909 750 247 84 -201 -52 49 -27 -691 142 235 -448 -476 -265 -911 -424 SS 20250416T124021.9Z 9237.528032 249 1 50.27 2 61.72 102.41 102.36 245.31 0.00 1 0.00 1 0 25 3.298e-02 5.740e-03 4.206e-03 5.209e-04 3.997581e-01 2.642320e-04 4.690990e-03 -6.000000e+00 1.904300e-02 228.49 -2.00 3.54 -2.00 318.85 0.00e+00 8.923182e-04 5.961807e-05 1.873269e-04 -6.000000e+00 8.328943e-04 279.29 -2.00 20.00 -2.00 318.18 0.00e+00 2.101 0.000 302.00 328.00 3 1.9293e+00 7.2558e-04 2.9743e-02 -6.0000e+00 4.7419e-02 2.8457e-02 8.3552e-04 2.0746e-02 -6.0000e+00 5.1573e-02 -1.4264e-03 5.9437e-04 1.0271e-02 -6.0000e+00 3.0648e-02 -7.1955e-03 3.1021e-04 3.0469e-03 -6.0000e+00 1.2808e-02 5.4595e-03 2.5949e-04 1.5221e-05 3.2430e-05 -6.0000e+00 9.3091e-04 5.3684e-03 0.0000e+00 10 0 0 10 0 0 99.97 22.10 0.33 0.00537 0.00732 461 89 1 5 0 109.020 25.28 19.89 22.10 13.10 5.6 904.38 -8360 -8369 -9796 -10500 -14535 -13010 -10584 -9530 -8756 -8948 -10876 -8738 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