File name: Pandora64s1_NewHavenCT_20241006_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241007T053754.6Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241006_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: 20241006 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 20241006T112436.8Z 9045.475426 56 1 48.16 2 85.20 101.52 125.02 91.01 0.00 1 0.00 1 0 31 4.570e-01 1.024e-01 2.195e-01 4.119e-02 9.882009e-01 2.412840e-02 1.174463e-02 -6.000000e+00 2.764033e-01 226.80 -2.00 3.52 -2.00 320.18 0.00e+00 -6.645966e-03 4.631753e-03 5.743165e-03 -6.000000e+00 1.253727e-02 285.01 -2.00 20.00 -2.00 319.24 0.00e+00 10.103 0.019 302.00 328.00 3 -1.0808e-01 6.6773e-02 1.1879e-01 -6.0000e+00 6.8406e-01 2.8048e+00 7.6747e-02 7.0400e-02 -6.0000e+00 7.4047e-01 -2.1843e+00 4.2499e-02 2.4385e-02 -6.0000e+00 4.4065e-01 5.7104e-01 2.1593e-02 1.3660e-02 -6.0000e+00 1.8762e-01 5.4480e-06 1.6864e-03 1.0808e-03 1.5009e-04 -6.0000e+00 1.3592e-02 1.5257e-03 -1.0265e-04 12 8 8 10 0 0 76.43 21.40 0.71 0.00153 0.01420 15 4 1 5 0 3210.210 25.90 20.00 21.40 15.66 39.3 973.09 71782 33226 6018 -2919 900000 -36342 -2376 -6847 134523 28758 -21578 43345 -11423 21865 82796 73051 43347 73285 18044 45917 10771 147124 78177 183189 -12351 40841 -10128 -5053 -1063 -97276 -22767 -7733 18474 30116 -6967 133113 38351 6730 40051 54395 87136 65877 14103 -37115 -2073 10974 44217 24739 28090 -64246 36418 900000 129828 5865 54871 10059 30340 12921 71498 -610 -1151 -9628 8517 -22529 95086 12012 57946 63529 30229 18038 46194 10229 -7651 -22182 -14714 -27920 215794 -20300 -10179 11286 9287 -13766 4141 -2086 12268 -7340 24566 4559 16927 2676 -15087 20636 -26053 679 11670 30129 3924 20149 12167 -3383 -17101 -8296 -26693 4495 8336 -8155 -8537 49183 2424 14794 17192 7130 2395 7558 -3940 -3593 -1980 -3073 -6879 8069 -5741 6514 456 3631 -4948 -7884 -13949 16644 2776 -3349 -3558 -3435 -6410 962 1385 -1799 269 3838 -211 5068 -3044 4287 11334 7291 1530 -648 900000 -9142 -432 -1338 6943 4205 -4908 6214 -3027 4681 11396 11521 8584 11347 4250 8163 2440 8015 8742 7919 -3206 6324 -2323 -971 -189 -46339 -6267 -1973 3814 5095 -1538 7810 5828 1602 7809 9982 11743 10767 3680 -14899 -553 2454 6973 4824 5477 -31464 7623 900000 12829 1934 11171 3202 7569 3520 10598 -163 -314 -3092 2515 -9754 13506 3582 12168 13340 9188 6672 13113 4018 -3269 -9668 -5147 -10087 8663 -7392 -3940 4110 3941 -8210 2173 -1214 6438 -4777 11693 2588 8105 1366 -8609 8047 -16808 378 6793 16933 3285 16003 10711 -3307 -17358 -6804 -24722 3171 5928 -7132 -8103 28911 2607 16077 20212 9044 3211 10078 -5335 -4827 -2708 -4417 -10604 11244 -8127 8294 601 4467 -6527 -10512 -20479 20760 4354 -6364 -7550 -7888 -16434 2477 3797 -5225 775 10734 -594 12628 -7707 9569 SS 20241006T114531.4Z 9045.489946 62 1 48.11 2 81.38 105.08 121.29 94.29 0.00 1 0.00 1 0 33 5.637e-01 3.920e-02 1.888e-01 8.136e-03 7.784753e-01 4.637794e-03 1.255498e-02 -6.000000e+00 3.394153e-01 226.80 -2.00 3.52 -2.00 321.59 0.00e+00 4.621873e-02 2.296517e-03 9.710197e-03 -6.000000e+00 1.517158e-02 285.01 -2.00 20.00 -2.00 321.07 0.00e+00 6.291 0.005 302.00 328.00 3 2.1393e+00 1.6282e-02 7.6632e-02 -6.0000e+00 8.4042e-01 1.1591e+00 1.9117e-02 4.2108e-02 -6.0000e+00 9.0907e-01 -1.4884e+00 1.3121e-02 2.9903e-02 -6.0000e+00 5.4269e-01 6.2232e-01 6.6913e-03 3.0532e-02 -6.0000e+00 2.3152e-01 3.9955e-05 -3.4273e-03 2.2281e-04 7.1481e-04 -6.0000e+00 1.6762e-02 5.7847e-04 -3.2312e-05 12 8 8 10 0 0 99.68 21.41 0.24 0.00058 -0.02518 37 9 1 5 0 1300.060 25.90 19.99 21.41 16.14 39.1 975.06 93043 102716 94159 116509 -137924 33700 -31755 -13371 2966 -16459 -62537 -17325 1132 96279 69394 121494 57383 314811 75489 201899 81863 199848 87763 55883 28591 89486 -24158 38029 15395 -27086 25293 123862 66517 130868 56785 58724 56265 84049 47555 52074 42288 49323 46907 19897 33002 51992 70654 54427 55758 21240 73760 85915 80621 44183 48242 20583 17506 11115 23404 21980 18911 21733 39489 18479 42912 18290 15692 21876 21005 8648 12531 8585 6815 -172 -567 -5756 11118 -4175 -2134 7082 -1957 -2771 -795 -6077 -1770 -8482 -1532 -3360 1488 -3061 -5196 -8013 -9041 -11664 -7114 -3179 -3788 -614 529 3 -405 -1049 -6721 -2648 -3919 -6151 -4234 1159 -2738 252 433 -790 -1072 645 -1945 -1270 -545 678 860 4212 2549 4914 3451 4486 3306 2923 -1392 1537 2002 1592 1587 533 -544 60 -268 -280 -1097 286 782 -293 -1726 -3214 2307 2546 2568 2195 -22401 936 -1260 -385 62 -367 -2139 -472 38 1766 2202 2771 2760 2497 3294 2563 2922 2008 2176 1579 907 1514 -1162 1018 588 -1871 1442 3341 3364 3668 2787 2708 2706 3209 2782 3072 2831 3204 3349 1848 2849 4202 5009 4830 5114 2746 6510 7156 7355 5587 5650 3035 2541 1634 2982 2954 2877 3692 6468 4208 7930 4242 3786 5084 5101 2630 3805 2698 2051 -51 -150 -1555 2522 -1134 -680 2485 -869 -1397 -420 -3344 -988 -5291 -926 -2096 877 -1801 -3080 -4669 -5296 -7247 -4951 -2535 -3573 -614 558 3 -413 -960 -6020 -2332 -3726 -6263 -4582 1238 -3434 349 660 -1217 -1655 1000 -2983 -1912 -846 1041 1391 6664 3972 7500 5180 6408 4639 4029 -1998 2367 3372 3031 3332 1151 -1260 147 -698 -718 -2863 743 2065 -736 -4127 -7330 SS 20241006T120323.2Z 9045.502352 70 1 48.30 2 78.17 108.21 118.11 97.01 0.00 1 0.00 1 0 25 3.072e-01 8.187e-03 3.026e-02 8.967e-04 6.360113e-01 4.945080e-04 7.383391e-03 -6.000000e+00 1.849744e-01 226.80 -2.00 3.52 -2.00 320.55 0.00e+00 1.935960e-03 2.027239e-04 1.544207e-03 -6.000000e+00 8.267828e-03 285.01 -2.00 20.00 -2.00 319.93 0.00e+00 4.724 0.002 302.00 328.00 3 4.4409e-01 1.5443e-03 5.8029e-02 -6.0000e+00 4.5801e-01 2.3618e-02 1.9939e-03 3.4462e-02 -6.0000e+00 4.9541e-01 -2.8940e-02 1.8783e-03 1.8029e-02 -6.0000e+00 2.9575e-01 2.4642e-03 9.2923e-04 5.6177e-03 -6.0000e+00 1.2618e-01 1.5485e-03 -5.7664e-04 2.6206e-05 7.5545e-05 -6.0000e+00 9.1343e-03 -3.9869e-04 -4.8479e-05 11 8 0 10 0 0 9.83 21.41 0.17 -0.00040 -0.00473 467 112 1 5 0 103.420 25.90 19.98 21.41 16.34 39.2 976.62 -92047 -120542 -61705 -130098 -138291 -127131 -76401 -105704 -59803 -86208 -65152 -81284 -38930 -55990 -24776 -29665 -15490 -25355 -10934 -17349 -7013 -16864 -6979 -15919 -9289 -14021 -12413 -16357 -8919 -16615 -4187 -4956 1985 -5841 -6874 -6796 -3244 -210 -79 2015 586 1782 2114 1805 1187 2661 1418 2540 863 1795 3432 -3317 2324 3573 490 1919 851 1346 -376 1500 405 2431 1680 3774 1336 -289 95 -71 872 2248 697 1273 -352 592 -711 -1171 -1683 -2025 -965 -453 -1320 -610 -1779 -1764 -612 -229 414 684 1175 749 282 233 -812 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