File name: Pandora64s1_NewHavenCT_20241010_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241011T044528.4Z 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_20241010_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: 20241010 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 20241010T113925.4Z 9049.485711 59 1 48.50 2 83.33 105.34 161.74 48.82 0.00 1 0.00 1 0 25 7.178e-01 4.680e-02 2.314e-01 1.275e-02 9.085441e-01 7.527768e-03 1.359257e-02 -6.000000e+00 4.315061e-01 226.36 -2.00 3.52 -2.00 321.96 0.00e+00 5.694540e-02 3.587012e-03 7.815067e-04 -6.000000e+00 1.933349e-02 284.52 -2.00 20.00 -2.00 321.50 0.00e+00 7.829 0.009 302.00 328.00 3 1.0305e+00 2.6727e-02 1.0531e-01 -6.0000e+00 1.0672e+00 1.8788e+00 3.0027e-02 1.1369e-01 -6.0000e+00 1.1547e+00 -2.2771e+00 1.6616e-02 2.3781e-02 -6.0000e+00 6.8954e-01 9.0826e-01 9.5078e-03 4.6619e-02 -6.0000e+00 2.9453e-01 2.1102e-05 -4.5036e-03 3.3604e-04 8.1900e-04 -6.0000e+00 2.1340e-02 4.0918e-03 -6.6504e-05 12 8 8 10 0 0 99.12 21.07 0.16 0.00409 -0.02975 30 7 1 5 0 1616.430 25.58 20.01 21.07 13.92 39.0 965.34 155182 216445 121208 217514 -69693 183937 68065 92015 62710 72777 -52731 37623 31188 157325 85592 164051 122058 167201 138055 207899 100651 900000 227082 80529 73638 43236 -13599 -8380 52505 -65463 63654 40302 73322 83266 124232 52890 130201 11023 108849 28727 126338 37465 145467 -17337 90353 39014 153708 46167 102576 -11693 165008 50028 151189 31172 90138 15354 57695 -1461 61641 11544 44539 20670 54133 2272 93124 22032 38987 41895 30134 22129 30030 22647 13326 3248 174 -618 37818 -7218 -7658 15191 -1611 -569 739 347 -226 -1378 -5827 1913 40 7792 -11478 -677 -21501 -9425 -13874 3058 -5928 1646 -199 896 -1479 4286 -13659 -410 -9432 -4697 -7805 5526 -6742 125 -1851 -1491 -2927 269 -2483 -1194 -987 626 507 6491 2244 4616 4613 4698 4814 3025 -1033 1822 2316 1287 1610 -208 372 -970 971 -935 -365 -101 1612 -850 -1306 -3254 7850 6827 8928 5405 -18671 3516 2927 2286 1618 1391 -3042 1187 1580 3308 4908 5174 6416 5913 6333 4371 5291 900000 2821 2540 1971 1364 -715 -432 1706 -8308 3224 3081 4485 4457 3799 3033 3640 938 3832 2114 3793 2578 3916 -2139 4318 3319 4774 4148 5490 -1920 5809 5403 6575 3873 6289 1949 4797 -189 4418 1412 4299 2924 6364 474 8811 3891 5917 6321 5563 4851 6236 4964 2968 718 35 -114 5132 -1582 -2059 3977 -580 -229 293 143 -98 -630 -2876 883 18 3423 -5334 -291 -10703 -4614 -8481 1915 -4846 1455 -193 845 -1322 3192 -11088 -295 -7899 -3933 -7345 5049 -7492 150 -2546 -2170 -4377 383 -3540 -1673 -1440 948 809 9809 3398 6474 6258 6147 6134 3867 -1383 2663 3967 2551 3346 -476 906 -2551 2663 -2692 -1051 -294 4473 -2263 -3247 -7692 SS 20241010T114921.8Z 9049.492614 62 1 15.86 2 81.54 107.06 160.35 53.59 0.00 1 0.00 1 0 25 8.643e-01 4.495e-02 3.562e-01 1.599e-02 7.713833e-01 9.127075e-03 1.304695e-02 -6.000000e+00 5.191770e-01 226.36 -2.00 3.52 -2.00 321.48 0.00e+00 5.575855e-02 4.382394e-03 8.777332e-03 -6.000000e+00 2.328093e-02 284.52 -2.00 20.00 -2.00 320.96 0.00e+00 6.392 0.005 302.00 328.00 3 2.1589e+00 3.1145e-02 7.5667e-02 -6.0000e+00 1.2839e+00 1.3132e+00 3.5925e-02 5.1684e-02 -6.0000e+00 1.3897e+00 -1.5480e+00 2.3962e-02 2.8168e-02 -6.0000e+00 8.2984e-01 6.3010e-01 1.2447e-02 3.6743e-02 -6.0000e+00 3.5405e-01 3.2348e-05 -5.5761e-03 4.3304e-04 7.7417e-04 -6.0000e+00 2.5704e-02 1.0010e-02 -9.7945e-05 12 9 9 12 1 1 -56.78 21.08 -0.03 0.01001 -0.03189 5 4 1 5 0 2643.370 25.68 19.99 21.08 14.37 38.8 966.82 148767 92914 281028 143441 -120056 163560 99417 117618 336931 321066 -42297 30722 -11326 40842 83222 99328 115868 383428 157232 195522 132191 900000 124339 279777 49022 157872 -36563 -7955 21559 -15820 90016 143235 133969 186814 91707 85910 33585 78391 96398 111564 97628 54284 94190 24779 62940 77613 77026 50259 83851 18749 74471 40583 84081 40232 37388 22314 11837 13426 29918 24434 23153 36108 46652 15162 43669 23150 33456 25585 15551 5543 13325 4989 8703 -8524 7803 -1457 -5238 -7276 -2880 1619 1536 -6005 -8537 -5058 -2097 -4804 -2421 -6850 -2845 -6410 -3988 -5649 -10964 -12331 -5297 -1118 -3479 -1360 2456 3062 -2060 182 -5143 -5968 -3045 -6521 -5385 -1163 -176 -2045 -207 -1665 -1008 893 -724 -1855 682 -133 2235 3790 4071 4346 3997 6147 4009 2127 -1835 1880 2238 2898 761 375 566 -273 -155 -506 -980 -1286 -224 -700 -1179 -1761 3138 3622 4382 3157 -23620 2550 1647 1834 5253 5006 -1319 620 -500 1592 2883 3613 4014 5978 4182 3620 3880 900000 2908 4362 1484 2461 -2154 -372 929 -1142 3385 3810 4423 3823 4037 3782 2356 3810 4067 4195 4298 3620 4837 2440 4797 5512 5871 5073 6682 2862 7418 5695 8302 5909 5369 3497 1943 2049 3805 3449 3667 5807 7809 3735 8851 5360 7412 5924 4328 1880 4321 1742 2748 -2911 2025 -378 -1401 -2161 -983 640 702 -3165 -4912 -2921 -1241 -3046 -1555 -4663 -1846 -4117 -2330 -3192 -6463 -8001 -3756 -909 -3259 -1441 2683 3259 -2141 164 -4720 -5618 -2829 -6562 -5797 -1316 -222 -2857 -315 -2682 -1611 1360 -1080 -2761 1028 -213 3682 6230 6466 6567 5863 8483 5728 3031 -2588 2816 3857 5359 1583 803 1282 -660 -383 -1290 -2530 -3360 -567 -1748 -2771 -3913 SS 20241010T120214.4Z 9049.501556 67 1 48.29 2 79.24 109.31 158.44 58.99 0.00 1 0.00 1 0 25 4.419e-01 9.191e-03 3.912e-02 1.163e-03 6.772040e-01 6.475844e-04 7.777640e-03 -6.000000e+00 2.654421e-01 226.36 -2.00 3.52 -2.00 320.82 0.00e+00 1.821878e-03 2.893994e-04 1.294748e-03 -6.000000e+00 1.186798e-02 284.52 -2.00 20.00 -2.00 320.24 0.00e+00 5.154 0.002 302.00 328.00 3 4.5860e-01 2.0970e-03 6.2691e-02 -6.0000e+00 6.5667e-01 4.8149e-02 2.7798e-03 3.6558e-02 -6.0000e+00 7.1078e-01 -5.6738e-02 2.6959e-03 1.9291e-02 -6.0000e+00 4.2434e-01 1.5746e-02 1.3083e-03 6.1705e-03 -6.0000e+00 1.8096e-01 9.7467e-04 -7.9848e-04 3.3845e-05 8.4182e-05 -6.0000e+00 1.3135e-02 3.8232e-03 -9.4344e-05 11 8 0 10 0 0 12.80 21.07 0.21 0.00382 -0.00218 356 86 1 5 0 135.630 25.58 20.00 21.07 14.53 38.9 968.31 -138186 -170289 -127718 -167043 -207265 -156197 -128160 -136733 -108964 -125739 -99574 -104708 -63928 -69355 -45120 -44358 -34112 -28348 -24355 -22116 -22372 -22116 -14471 -21945 -18687 -14498 -15851 -19280 -16894 -22057 -11664 -5424 -2831 -2570 -11701 -4866 -5066 -187 208 3280 477 4535 2411 2723 1108 4826 1228 5498 889 1532 2775 5444 3705 4369 1465 2787 2485 2406 1669 2041 1154 2974 2207 3605 1957 -358 613 -199 1130 2430 811 1498 62 298 -715 -1636 -1168 -2282 -913 -218 -1433 -817 -1975 -2138 -638 -444 522 324 1288 605 255 -39 -932 -442 366 -72 -223 1033 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