File name: Pandora64s1_NewHavenCT_20240114_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240115T080309.8Z 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_20240114_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: 20240114 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 20240114T130115.2Z 8779.542536 62 1 48.50 2 83.59 125.88 108.98 91.12 0.00 1 0.00 1 0 25 7.492e-01 4.666e-02 2.181e-01 1.331e-02 1.002934e+00 7.809100e-03 1.240755e-02 -6.000000e+00 4.456136e-01 223.68 -2.00 3.52 -2.00 321.93 0.00e+00 6.176042e-02 3.161936e-03 1.460804e-02 -6.000000e+00 1.934934e-02 275.06 -2.00 20.00 -2.00 321.54 0.00e+00 8.103 0.010 302.00 328.00 3 5.8249e-01 2.5371e-02 1.6612e-01 -6.0000e+00 1.0993e+00 2.2178e+00 2.8258e-02 2.0316e-01 -6.0000e+00 1.1939e+00 -2.5607e+00 1.6308e-02 2.4940e-02 -6.0000e+00 7.1014e-01 1.0149e+00 9.3057e-03 6.0263e-02 -6.0000e+00 3.0206e-01 2.0617e-05 -5.3260e-03 3.3012e-04 6.0529e-04 -6.0000e+00 2.2248e-02 -8.4886e-04 -1.2393e-04 12 8 8 10 0 0 98.46 21.54 0.31 -0.00085 -0.04087 35 8 1 5 0 1385.570 26.00 19.98 21.54 7.70 36.8 945.90 167035 265319 195355 242143 -53312 219101 64718 46571 45608 102382 -51511 32970 39583 114001 111352 169247 158751 172641 160980 185659 176100 140581 170548 98613 33192 -19428 -22282 -22153 63621 -45029 59343 71235 106244 103284 115180 54740 46300 29995 73920 4437 125240 32151 90452 -18865 85508 42050 200161 27786 79930 -14840 88820 68501 189619 30167 79804 20107 32214 -2062 65319 15770 24655 13237 50691 30300 85171 11121 43117 33745 45053 18334 29398 16264 12902 5772 -8472 -10155 19724 -11474 -14546 13485 -6095 -18977 -945 -4638 -5576 -5890 21 2213 -631 8067 -8059 2348 -16053 -8604 -10517 1874 -6588 3218 2354 3595 -833 3838 -6263 2393 -8026 -5058 -8005 5654 -6559 -1799 -1209 -2984 -2208 -458 -2420 -2813 -987 -940 1189 4049 2973 5006 4832 4372 4646 2762 -1596 1351 2253 889 2151 -144 1156 -1557 952 -908 235 -399 1861 -1046 -625 -3650 10297 7200 10372 6571 -17245 3878 3589 2143 1561 1570 -3343 1167 2055 4304 5912 6190 7118 7129 7218 5914 5194 4644 3542 2792 1371 -1146 -1262 -1307 2064 -5207 3361 4370 5140 4996 4634 3294 2895 2159 3401 408 3738 2238 4109 -2448 4550 3374 3897 2983 5375 -2714 6183 6142 5660 4022 6026 2515 3269 -270 4578 1693 2647 1843 5682 4790 8240 2244 6461 5693 7336 4261 6243 3838 2892 1233 -1829 -2013 2909 -2586 -4170 3612 -2129 -8538 -379 -1992 -2521 -2758 9 991 -287 3202 -3504 884 -7344 -4076 -6119 1182 -5444 2833 2274 3386 -758 2914 -4701 1638 -6441 -4109 -7264 4972 -7519 -2118 -1608 -4337 -3252 -656 -3452 -4005 -1437 -1438 1864 6176 4366 6772 6300 5539 6206 3723 -2088 1940 3825 1774 4778 -357 2813 -4155 2632 -2629 672 -1155 5123 -2761 -1513 -9063 SS 20240114T131127.2Z 8779.549620 65 1 48.35 2 82.05 127.70 107.12 92.69 0.00 1 0.00 1 0 25 3.745e-01 3.163e-02 1.194e-01 5.138e-03 8.994057e-01 2.942729e-03 1.053189e-02 -6.000000e+00 2.227639e-01 223.68 -2.00 3.52 -2.00 321.83 0.00e+00 3.379929e-02 1.461836e-03 3.130850e-03 -6.000000e+00 9.671563e-03 275.06 -2.00 20.00 -2.00 321.40 0.00e+00 6.761 0.006 302.00 328.00 3 9.0817e-01 1.0014e-02 9.3921e-02 -6.0000e+00 5.4956e-01 1.1432e+00 1.2329e-02 8.7752e-02 -6.0000e+00 5.9679e-01 -1.4970e+00 1.0560e-02 2.5539e-02 -6.0000e+00 3.5498e-01 6.2744e-01 5.1745e-03 3.2061e-02 -6.0000e+00 1.5102e-01 8.3584e-05 -3.2288e-03 1.3583e-04 4.1029e-04 -6.0000e+00 1.1121e-02 -1.2988e-03 -9.6537e-05 12 8 8 10 0 0 99.30 21.54 0.19 -0.00130 -0.02556 84 20 1 5 0 575.500 26.00 20.01 21.54 8.00 36.7 946.84 -7974 61381 32368 -6800 -187748 38420 -77122 -71999 -80300 -64534 -49984 -61502 -22436 23216 50276 74039 59757 85340 55544 44212 49029 54771 72600 21639 10684 -34420 15045 -18810 32840 -35565 41681 35459 76973 21639 78744 11560 56480 16326 58015 46010 76686 32904 58345 10016 53644 37120 71340 52287 62374 19437 76276 54656 75010 34944 53123 20983 25738 17057 25879 12923 25096 22429 27430 28695 36915 20809 25447 21839 16679 16136 12428 12683 5550 8104 -396 1189 3542 -1910 580 7278 840 -3535 -303 -2158 -3798 -1006 -1767 240 500 2736 -3364 -2098 -8982 -7319 -6519 -3091 -4415 -356 109 392 -836 -1176 -5086 -2835 -3685 -4594 -4628 -1741 -2925 -1012 -1243 -845 -1254 -803 -1496 -1609 414 718 2366 2103 2071 2416 3931 3064 3973 2404 -86 770 2378 805 1916 115 310 -107 419 -656 -388 -99 504 -867 -451 -3158 -192 892 632 -155 -19674 423 -2072 -1607 -1931 -1229 -826 -1448 -517 477 1033 1447 1497 1796 1586 1373 1326 1235 1237 542 268 -1276 332 -594 691 -1685 1316 1421 2314 1127 2091 585 1896 883 2267 2190 2805 1945 2835 744 2956 2316 3681 3510 4031 1894 5121 4481 5295 3835 4790 2542 2872 1973 2652 1536 2857 3003 4048 4757 5901 3895 4705 4376 3912 3880 3233 3277 1446 2041 -97 261 765 -480 158 2248 323 -1613 -144 -1094 -2072 -557 -1021 137 282 1435 -1758 -1048 -4871 -4336 -4545 -2305 -3937 -352 115 403 -806 -1008 -4163 -2314 -3224 -4240 -4634 -1867 -3623 -1313 -1811 -1297 -1954 -1222 -2224 -2371 619 1122 3811 3403 3215 3544 5497 4490 5628 3401 -125 1159 4125 1615 3949 259 747 -276 1071 -1743 -1034 -265 1303 -2263 -1091 -7326 SS 20240114T132210.9Z 8779.557070 68 1 48.51 2 80.48 129.67 105.16 94.33 0.00 1 0.00 1 0 25 5.265e-01 1.934e-02 9.708e-02 3.051e-03 8.049202e-01 1.728965e-03 9.166162e-03 -6.000000e+00 3.130364e-01 223.68 -2.00 3.52 -2.00 321.46 0.00e+00 1.459682e-02 8.358890e-04 8.999952e-04 -6.000000e+00 1.359890e-02 275.06 -2.00 20.00 -2.00 321.03 0.00e+00 5.763 0.003 302.00 328.00 3 1.2597e+00 5.7568e-03 7.2684e-02 -6.0000e+00 7.7224e-01 4.0964e-01 7.8669e-03 4.8526e-02 -6.0000e+00 8.3879e-01 -5.4333e-01 8.1277e-03 2.5655e-02 -6.0000e+00 4.9893e-01 2.2884e-01 3.8625e-03 1.7369e-02 -6.0000e+00 2.1213e-01 1.9829e-04 -2.3728e-03 8.4765e-05 2.0446e-04 -6.0000e+00 1.5634e-02 2.0958e-04 -1.9861e-04 12 9 8 11 8 0 99.94 21.54 0.18 0.00021 -0.01762 159 38 1 5 0 305.080 26.00 20.02 21.54 8.14 36.8 948.13 -139454 -150166 -103373 -187304 -302931 -152503 -151229 -141752 -142279 -140685 -155181 -126681 -104475 -107935 -49026 -45955 -30294 -10550 -26480 -14069 -2068 -2866 3195 -30875 -22834 -34546 -46001 -36610 -13800 -48870 -1637 24256 27858 14667 10404 8953 9141 14832 21389 21171 25242 21725 18570 12790 21966 24482 24423 23686 15477 13913 19751 18716 22439 18137 13616 13696 9638 8966 9878 7047 8781 10281 12142 13883 11346 7378 6739 5474 6223 7026 4733 3314 1556 1165 52 -2015 810 -3234 -67 34 -772 -2745 -1625 -3452 -1706 -2078 -152 -230 1163 367 -1001 -961 -3242 -3406 -1480 -1770 -1216 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