File name: Pandora64s1_NewHavenCT_20240205_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240214T160310.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240205_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240205 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240205T124234.3Z 8801.529563 165 1 48.53 2 83.40 118.07 69.33 178.05 0.00 1 0.00 1 0 25 5.180e-01 3.017e-02 1.991e-01 6.604e-03 1.107073e+00 3.957513e-03 1.238129e-02 -6.000000e+00 3.090502e-01 224.49 -2.00 3.52 -2.00 322.32 0.00e+00 3.587635e-02 2.126085e-03 1.521240e-02 -6.000000e+00 1.337202e-02 274.93 -2.00 20.00 -2.00 321.94 0.00e+00 7.916 0.009 302.00 328.00 3 -2.0523e-01 1.4349e-02 1.5219e-01 -6.0000e+00 7.6383e-01 1.8216e+00 1.7213e-02 1.6805e-01 -6.0000e+00 8.2910e-01 -2.3070e+00 1.3761e-02 3.3010e-02 -6.0000e+00 4.9283e-01 9.3520e-01 6.9532e-03 3.6934e-02 -6.0000e+00 2.0924e-01 6.1124e-05 -3.9950e-03 1.6513e-04 2.8931e-04 -6.0000e+00 1.5386e-02 -3.5866e-04 -1.1032e-04 12 8 8 10 0 0 56.13 21.65 0.28 -0.00036 -0.03038 98 24 1 5 0 495.140 26.11 19.98 21.65 5.39 36.6 938.61 85424 110162 130886 69620 -132568 38619 57607 -18876 4431 31385 -39880 22625 12494 25109 129940 108640 120659 140460 141483 79925 59586 148270 250817 29302 19402 20992 -35746 -30061 2272 -44323 62871 62304 73966 59862 56741 33511 41709 39477 65492 46805 61735 51605 66044 17721 42875 35412 73297 50409 41208 25467 82194 49313 114015 49801 60722 41693 34092 36971 51836 44296 13452 21629 35427 49164 52752 39934 36618 48260 37277 28011 28852 27598 17578 17883 5900 -87 12199 -1704 1639 8946 4417 -4450 7380 -735 1425 335 1921 -525 4063 4045 -2406 -5296 -10821 -9888 -6441 -4106 -4528 190 857 602 -1420 -1742 -6456 -3175 -4066 -5692 -3318 -2823 -4086 -2044 -1789 -2519 -2006 -1268 -1471 -2128 132 401 2196 2919 2443 2915 3798 4121 3142 2944 -669 459 1572 1483 2017 116 197 -348 342 -166 -593 275 557 -263 -1016 -2862 1950 2063 1915 1549 -15862 723 708 -409 65 344 -794 335 271 676 1757 2168 2331 2351 2277 2213 1604 1527 1615 736 462 446 -1266 -1006 61 -2205 1579 1885 2238 2043 1754 1230 1423 1449 1982 1808 2107 1994 2296 1015 1960 1824 2737 2564 2468 1759 3916 3524 4478 3848 4105 3275 2744 2690 3071 2824 1134 1924 3214 4489 4940 4301 4287 5311 5084 4640 4898 4668 3035 2742 894 -13 1607 -291 335 2100 1280 -1483 2360 -266 531 130 758 -213 1546 1463 -873 -1938 -4343 -4483 -3428 -2613 -3472 163 789 547 -1216 -1308 -4573 -2186 -2989 -4447 -2761 -2616 -4130 -2386 -2390 -3666 -2995 -1877 -2143 -3111 196 622 3485 4556 3619 4027 5011 5250 3962 3686 -882 686 2795 2857 4384 281 517 -921 956 -478 -1717 791 1542 -728 -2595 -6862 SS 20240205T125253.3Z 8801.536728 168 1 48.33 2 81.70 119.89 69.32 180.42 0.00 1 0.00 1 0 17 7.091e-01 2.055e-02 9.662e-02 2.541e-03 9.677059e-01 1.475791e-03 1.069456e-02 -6.000000e+00 4.231459e-01 224.49 -2.00 3.52 -2.00 321.89 0.00e+00 1.600976e-02 7.986642e-04 2.072246e-03 -6.000000e+00 1.830624e-02 274.93 -2.00 20.00 -2.00 321.48 0.00e+00 6.514 0.005 302.00 328.00 3 3.3810e-02 5.2687e-03 8.6898e-02 -6.0000e+00 1.0458e+00 6.3876e-01 7.7449e-03 6.5947e-02 -6.0000e+00 1.1351e+00 -8.4482e-01 8.3199e-03 3.0460e-02 -6.0000e+00 6.7473e-01 3.5085e-01 3.8188e-03 1.9291e-02 -6.0000e+00 2.8653e-01 2.7254e-04 -2.0592e-03 6.6836e-05 2.4646e-04 -6.0000e+00 2.1064e-02 -1.1121e-03 -8.9305e-05 12 9 8 11 8 0 10.14 21.61 0.24 -0.00111 -0.01659 230 55 1 5 0 210.110 26.11 20.01 21.61 6.06 36.5 941.03 -220416 -209996 -184783 -214039 -340307 -220711 -212905 -235469 -176773 -202916 -209951 -183042 -117883 -113474 -89667 -55671 -54050 -49783 -50056 -33975 -59005 -7643 -25093 -56960 -53816 -38808 -60007 -64143 -42195 -63316 -21695 -1421 8107 17621 452 -9956 14348 6595 20209 25350 25541 16562 29457 5997 25896 24069 31082 20086 24509 17001 33391 46206 33313 23713 28001 21840 19935 14914 17956 18797 15752 18368 21644 21981 22611 13265 16725 14201 13473 14364 9566 10587 6801 5698 3168 1018 2821 231 487 2381 1113 -678 -1259 -1928 -734 -461 371 717 521 647 -1409 -1399 -4011 -3958 -2751 -1854 -2160 72 246 -482 -995 -2470 -3568 -801 -1204 -3042 -2131 -1947 -1677 -714 -30 -418 -648 -597 -651 -1042 384 172 1715 1666 734 1106 2172 1741 2256 1460 -1020 764 1218 824 840 -55 -297 -272 567 -201 -649 318 644 -422 -374 -1984 -2631 -2554 -2014 -2603 -13184 -2734 -2427 -3442 -1489 -2313 -2809 -2449 -1168 -1490 -1222 -662 -723 -715 -757 -446 -965 -72 -286 -903 -827 -519 -996 -1128 -659 -1522 -452 -29 177 358 10 -259 324 186 586 798 873 661 1095 290 1065 1062 1363 1075 1372 1042 1986 2696 2416 2046 2384 2017 1872 1424 1610 1685 1565 2040 2715 3154 3402 2226 2878 2690 2926 3191 2354 2595 1636 1267 706 213 590 55 129 754 419 -299 -605 -986 -395 -259 197 382 296 349 -732 -713 -2163 -2217 -1812 -1446 -1987 69 250 -482 -996 -2219 -2991 -670 -1073 -2886 -2176 -2037 -2009 -978 -45 -634 -1002 -907 -962 -1532 575 268 2750 2653 1123 1707 3211 2492 3139 2011 -1457 1214 2112 1639 1747 -124 -726 -669 1475 -541 -1766 860 1683 -1038 -908 -4570 SS 20240205T130916.1Z 8801.548103 173 1 48.34 2 79.08 122.86 69.46 184.18 0.00 1 0.00 1 0 17 6.273e-01 1.039e-02 4.025e-02 9.907e-04 7.932425e-01 5.524454e-04 8.919064e-03 -6.000000e+00 3.744048e-01 224.50 -2.00 3.52 -2.00 321.10 0.00e+00 4.239393e-03 2.526645e-04 1.356999e-03 -6.000000e+00 1.619577e-02 274.93 -2.00 20.00 -2.00 320.66 0.00e+00 5.087 0.002 302.00 328.00 3 8.2891e-02 1.7759e-03 6.5816e-02 -6.0000e+00 9.2537e-01 1.1947e-01 2.4987e-03 4.2977e-02 -6.0000e+00 1.0043e+00 -1.3029e-01 2.7350e-03 2.4857e-02 -6.0000e+00 5.9695e-01 4.5826e-02 1.3109e-03 1.0087e-02 -6.0000e+00 2.5358e-01 1.3013e-03 -8.5230e-04 2.7249e-05 1.2805e-04 -6.0000e+00 1.8634e-02 -2.1481e-03 -5.9840e-05 12 8 8 10 0 0 17.96 21.62 0.20 -0.00215 -0.00855 524 126 1 5 0 92.230 26.11 20.01 21.62 6.66 36.5 943.35 -226508 -201131 -199780 -210055 -279836 -206557 -198289 -183036 -166144 -166210 -176966 -148396 -118710 -89847 -62983 -60016 -47392 -47914 -45761 -45944 -42353 -44353 -31947 -43745 -30272 -41314 -31663 -37718 -25521 -32385 -15224 -11484 -2061 -7035 -5000 -7810 -2101 -5713 2400 2331 3343 1513 5022 1333 4737 2585 5198 4343 4679 2477 7264 -5898 6468 6159 5178 4388 4577 3026 2898 2916 2983 4519 4785 5698 4079 1873 2026 138 1802 2881 1738 1501 485 744 -763 -1628 -1716 -1977 -1054 -97 -1104 -673 -1926 -2171 -900 -677 119 553 1124 863 -182 -321 -1583 -707 -143 -108 -364 1115 665 -294 -509 -1793 -2300 158 323 -1573 -661 -796 -295 364 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