File name: Pandora64s1_NewHavenCT_20240408_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240409T050137.4Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240408_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: 20240408 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 20240408T111154.4Z 8864.466601 64 1 48.53 2 81.60 87.40 80.78 91.19 0.00 1 0.00 1 0 17 4.156e-01 2.906e-02 1.573e-01 4.615e-03 9.579731e-01 2.730178e-03 1.123910e-02 -6.000000e+00 2.513415e-01 228.07 -2.00 3.52 -2.00 321.97 0.00e+00 3.208151e-02 1.507627e-03 2.447678e-03 -6.000000e+00 1.092934e-02 279.45 -2.00 20.00 -2.00 321.55 0.00e+00 6.437 0.005 302.00 328.00 3 9.8824e-01 9.9805e-03 9.3643e-02 -6.0000e+00 6.2539e-01 1.1108e+00 1.2817e-02 8.9748e-02 -6.0000e+00 6.7658e-01 -1.5011e+00 1.1425e-02 2.7962e-02 -6.0000e+00 4.0211e-01 6.2359e-01 5.3914e-03 3.3181e-02 -6.0000e+00 1.7017e-01 9.7089e-05 -2.8412e-03 1.2143e-04 4.4254e-04 -6.0000e+00 1.2359e-02 1.6148e-04 -6.6007e-05 12 8 8 10 0 0 97.85 21.51 0.22 0.00016 -0.02119 90 22 1 5 0 539.120 26.00 20.02 21.51 8.99 37.1 959.72 -11276 -4715 17814 -44429 -219566 -62499 -84622 -107173 -54457 -74709 -79023 -44131 -48698 -40357 8447 39110 30447 61423 42294 67931 37612 169244 56997 43191 4052 16758 -27823 -25656 -14147 -21819 11639 89756 32349 73977 34545 40036 52813 58236 41700 61950 61463 75693 59459 27068 33797 66908 56795 68470 54623 37102 54237 65360 57857 51089 38196 33605 24509 29236 27271 24442 23388 25673 33483 39038 40918 22857 25188 27990 19793 19226 17006 15623 11984 6950 2549 1462 7282 -675 1502 4459 2963 -4653 2250 -2095 1526 -2107 -134 104 2396 -75 -1180 -3378 -6966 -6785 -5563 -4818 -3255 -863 269 -692 -59 -2085 -4583 -3846 -2677 -4633 -3621 -2400 -2701 -1929 -427 -1636 -499 -1338 -1243 -1739 547 399 2344 2426 1690 2287 3145 2988 3178 2982 -915 1136 1827 1458 1577 456 134 9 -150 -71 -641 142 343 -529 -1102 -2630 -161 -69 211 -854 -18526 -1023 -1489 -2104 -637 -917 -1034 -576 -877 -941 159 656 623 1106 848 1131 779 838 795 622 78 271 -689 -635 -350 -669 338 1575 1045 1731 1088 1171 1426 1625 1520 2007 2102 2350 2301 1362 1659 2740 2486 2885 2838 2504 3439 4037 4095 4055 3422 3093 2396 2595 2387 2240 2344 2888 4054 5110 5524 3712 4173 4752 3741 4073 3845 3568 2660 1473 503 291 1385 -142 376 1321 1043 -2019 981 -1002 746 -1029 -66 52 1247 -38 -569 -1621 -3545 -3565 -3447 -3568 -2809 -841 277 -706 -56 -1763 -3648 -3103 -2267 -4189 -3525 -2555 -3075 -2519 -619 -2546 -780 -2077 -1876 -2620 837 640 3856 3981 2668 3395 4478 4108 4259 3939 -1269 1742 3055 2801 3381 1002 316 22 -405 -196 -1797 398 928 -1346 -2617 -5912 SS 20240408T113221.7Z 8864.480806 75 1 48.36 2 77.75 90.76 77.00 94.41 0.00 1 0.00 1 0 17 5.037e-01 9.604e-03 3.457e-02 9.329e-04 7.270823e-01 5.221547e-04 8.270602e-03 -6.000000e+00 3.046966e-01 228.07 -2.00 3.52 -2.00 320.83 0.00e+00 3.750629e-03 2.277738e-04 1.397602e-03 -6.000000e+00 1.324805e-02 279.45 -2.00 20.00 -2.00 320.32 0.00e+00 4.577 0.002 302.00 328.00 3 5.2628e-01 1.6543e-03 6.0179e-02 -6.0000e+00 7.5816e-01 4.7674e-02 2.2302e-03 3.9395e-02 -6.0000e+00 8.2014e-01 -6.8045e-02 2.2812e-03 2.2103e-02 -6.0000e+00 4.8744e-01 2.1260e-02 1.1050e-03 8.5820e-03 -6.0000e+00 2.0633e-01 1.4373e-03 -6.4571e-04 2.6315e-05 1.0740e-04 -6.0000e+00 1.4979e-02 -6.5058e-04 -3.8516e-05 12 8 8 10 0 0 43.89 21.51 0.17 -0.00065 -0.00550 464 112 1 5 0 104.220 26.00 19.99 21.51 9.47 37.3 962.72 -182235 -151259 -165135 -180229 -241850 -154442 -174649 -147023 -143084 -121452 -136859 -89817 -100892 -58619 -69787 -27524 -48402 -14293 -41363 -7899 -39943 -10795 -33323 -14235 -28177 -7553 -29894 -8719 -29382 -11547 -13750 3867 -6033 1998 -11962 -1837 -7295 -154 614 3674 1072 3315 2516 1761 2331 3730 3288 3448 3355 2365 5352 -5188 5126 4095 3000 3036 2821 1413 2164 926 2181 2168 3647 4072 2975 -160 1302 -752 2027 2227 1433 838 398 11 -207 -2384 -1095 -2858 -624 -412 -1007 -1102 -1690 -2339 -523 -584 478 537 1371 576 491 15 -1039 -596 336 -80 -260 1117 645 -334 -368 -1966 -2303 126 344 -1445 -715 -871 -300 394 893 363 93 -11 -436 -402 337 75 889 574 -251 -164 764 483 895 578 -1534 353 932 354 325 -578 -750 -405 374 -180 -507 562 525 -110 161 -771 -1624 -1128 -1517 -1836 -4000 -1236 -1906 -1391 -1471 -1105 -1606 -825 -1367 -677 -1143 -353 -867 -205 -839 -122 -868 -180 -758 -293 -712 -164 -824 -194 -847 -326 -445 123 -246 77 -519 -77 -373 -9 43 292 97 313 253 183 248 406 374 418 400 314 786 -943 923 812 631 667 634 318 473 208 517 578 1090 1245 941 -52 431 -270 807 999 690 414 190 5 -84 -912 -409 -1165 -291 -227 -598 -742 -1231 -1824 -401 -471 397 450 1120 450 386 11 -799 -464 298 -83 -288 1374 782 -420 -430 -2106 -2349 131 380 -1698 -897 -1115 -425 586 1440 607 155 -17 -673 -609 521 121 1495 974 -417 -260 1168 709 1345 846 -2289 538 1603 645 613 -1163 -1603 -876 855 -406 -1165 1289 1176 -246 339 -1634 SS 20240408T113801.0Z 8864.484734 78 1 48.35 2 76.69 91.69 75.96 95.31 0.00 1 0.00 1 0 25 3.749e-01 8.410e-03 2.533e-02 7.390e-04 6.841002e-01 4.105178e-04 7.815397e-03 -6.000000e+00 2.267548e-01 228.07 -2.00 3.52 -2.00 320.56 0.00e+00 2.104769e-03 1.648861e-04 1.041118e-03 -6.000000e+00 9.859246e-03 279.45 -2.00 20.00 -2.00 320.03 0.00e+00 4.236 0.001 302.00 328.00 3 4.9011e-01 1.2535e-03 5.5950e-02 -6.0000e+00 5.6422e-01 2.9290e-02 1.6278e-03 3.6634e-02 -6.0000e+00 6.1035e-01 -3.5387e-02 1.6137e-03 1.9454e-02 -6.0000e+00 3.6276e-01 5.5702e-03 7.9799e-04 6.5568e-03 -6.0000e+00 1.5355e-01 2.1541e-03 -6.0923e-04 2.1127e-05 8.2824e-05 -6.0000e+00 1.1148e-02 -7.7797e-04 -4.8715e-05 11 8 0 10 0 0 26.46 21.51 0.16 -0.00078 -0.00536 573 138 1 5 0 84.370 26.00 20.01 21.51 10.08 37.3 965.65 -143246 -117532 -137628 -121369 -189069 -109507 -121276 -101989 -109177 -80891 -104405 -72809 -71021 -44910 -40155 -23822 -34279 -10528 -25219 -15567 -22927 -15632 -14659 -13646 -16853 -9041 -17813 -12871 -15791 -12883 -6042 -2778 -31 -1435 -7049 -6562 -3102 -1986 1693 1952 1682 1334 2191 -171 2589 1583 3048 1685 3083 584 4069 -3226 3866 2735 1777 1289 2191 491 791 99 1359 1906 3057 3520 2477 -795 768 -1009 1345 1613 814 1088 -133 46 -484 -1434 -1297 -2064 -861 -398 -1119 -718 -1792 -1947 -564 -281 366 590 1344 699 298 257 -911 -294 355 157 -294 1118 572 -219 -545 -1875 -2094 165 248 -1347 -685 -843 -175 477 920 408 219 52 -406 -286 286 -115 737 435 -256 -271 676 330 1029 497 -1427 234 918 193 340 -615 -743 -436 417 -175 -422 547 460 -211 260 -678 -1321 -948 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