File name: Pandora64s1_NewHavenCT_20240423_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240424T045656.4Z 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_20240423_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: 20240423 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 20240423T104304.1Z 8879.446576 218 1 48.45 2 82.87 79.24 101.94 264.10 0.00 1 0.00 1 0 25 5.482e-01 2.829e-02 2.876e-01 9.626e-03 1.224059e+00 6.007525e-03 1.329548e-02 -6.000000e+00 3.333755e-01 229.30 -2.00 3.52 -2.00 322.45 0.00e+00 4.446581e-03 3.433344e-03 9.035569e-03 -6.000000e+00 1.466654e-02 281.08 -2.00 20.00 -2.00 322.03 0.00e+00 7.412 0.007 302.00 328.00 3 7.9975e-01 2.3704e-02 1.1796e-01 -6.0000e+00 8.3109e-01 1.9167e+00 3.0262e-02 1.0896e-01 -6.0000e+00 8.9843e-01 -2.3858e+00 2.3913e-02 4.2962e-02 -6.0000e+00 5.3395e-01 9.1059e-01 1.1563e-02 1.4030e-02 -6.0000e+00 2.2547e-01 3.2315e-05 -2.3063e-03 2.3755e-04 1.8433e-04 -6.0000e+00 1.6307e-02 2.7084e-04 -1.2771e-04 12 8 8 10 0 0 99.10 21.62 0.16 0.00027 -0.01706 49 12 1 5 0 988.650 26.11 19.99 21.62 10.78 37.6 968.90 -3770 170028 44305 76424 -55837 57877 -97108 -19634 -37014 3436 -122326 81090 -41192 24266 19251 49692 -11150 160840 -37 111180 30503 144747 245016 900000 -15546 37784 -24721 -24300 -30835 -88570 -1589 13788 50922 25630 24839 -33981 -11854 -9366 87704 31705 122506 25280 85364 -36507 67941 18628 93355 33462 47133 -48609 86379 105571 233873 16604 75687 23961 58741 20721 138686 1420 50501 8318 67405 23785 89169 10331 33956 39208 54174 30765 45687 21880 13976 15112 7565 -8791 45463 -10568 -1576 10375 3758 -14547 5429 1702 6402 8097 10192 5946 7285 9880 -6633 3473 -9767 -1216 -1141 -1159 -3324 1492 -1292 -1495 -5270 -49 -12370 640 -3433 -2594 -4992 3864 -4672 -261 -1213 -2003 -1085 6 -2393 -986 -856 518 645 2087 14 2708 3033 3710 4228 2316 -2461 1155 1104 807 625 -1106 -239 -83 529 436 210 865 1224 -606 -1101 -3033 -131 1596 927 938 -2096 627 -4361 -425 -935 57 -6806 824 -1665 631 625 1327 -571 1635 -2 1652 837 1358 2299 900000 -584 857 -892 -807 -1113 -6713 -63 537 1507 944 825 -1987 -590 -514 2263 1465 2587 1314 2604 -3321 2285 941 2482 1594 2110 -5800 3513 3880 2561 1570 4043 2162 3647 1750 3579 127 2844 799 4136 2575 5278 1372 3824 4528 6101 4864 6464 3593 2286 2334 1098 -1364 4201 -1792 -299 2135 977 -5256 1743 597 2253 2887 3634 2196 2578 3212 -2405 1136 -3876 -513 -546 -672 -2340 1161 -1105 -1251 -4207 -32 -8405 388 -2292 -1797 -3876 3090 -4790 -284 -1543 -2790 -1558 8 -3449 -1401 -1259 783 1004 3138 21 3542 3819 4495 5014 2773 -3179 1673 1936 1563 1384 -2744 -606 -228 1541 1305 631 2575 3488 -1615 -2850 -7377 SS 20240423T110631.3Z 8879.462862 229 1 48.13 2 78.51 83.00 106.25 267.73 0.00 1 0.00 1 0 25 4.553e-01 2.671e-02 1.262e-01 3.216e-03 8.468737e-01 1.845396e-03 1.052745e-02 -6.000000e+00 2.765824e-01 229.30 -2.00 3.52 -2.00 321.40 0.00e+00 2.273829e-02 9.237998e-04 4.493328e-03 -6.000000e+00 1.205330e-02 281.08 -2.00 20.00 -2.00 320.91 0.00e+00 4.856 0.002 302.00 328.00 3 2.2561e+00 6.2980e-03 6.7272e-02 -6.0000e+00 6.8984e-01 5.5899e-01 8.3271e-03 4.6286e-02 -6.0000e+00 7.4545e-01 -7.6997e-01 7.9525e-03 3.2759e-02 -6.0000e+00 4.4303e-01 3.2831e-01 3.7613e-03 2.3106e-02 -6.0000e+00 1.8727e-01 1.4684e-04 -2.2695e-03 8.5374e-05 3.6690e-04 -6.0000e+00 1.3543e-02 1.0206e-04 -9.0369e-05 12 8 8 10 0 0 99.62 21.59 0.16 0.00010 -0.01695 57 14 1 5 0 844.200 26.00 19.99 21.59 11.49 37.5 972.24 -108866 -58832 -67409 -118698 -296272 -102613 -116099 -161524 -26789 -160652 -94378 -71608 -36818 -71302 -8614 -3827 41302 44082 -2407 37684 22678 45384 110803 34572 27938 -1047 -3534 -36203 33324 -41981 28736 34947 38880 60592 36524 15159 47188 20102 34371 31255 39557 37189 42728 23607 31808 41312 47800 42107 33716 18822 35802 29202 35666 26439 19912 13047 10663 10658 12947 12889 11346 17665 16176 19731 19707 12373 12614 12083 8952 7017 5022 5059 2099 2678 119 -1840 -744 -4482 -232 2407 -527 -4018 -1976 -3690 -2627 -2558 -1137 -1026 783 245 -1581 -2167 -4620 -4886 -3135 -2414 -1954 -74 437 -310 -312 -1541 -4578 -903 -1438 -3171 -2163 -993 -1535 -101 282 -216 -255 -320 -591 -1066 641 500 1451 1894 1214 1565 2256 1903 2575 1489 -672 1161 1459 1052 1096 -178 -159 -143 286 -281 -887 -16 557 -613 -706 -1934 -1339 -538 -705 -1746 -21233 -1153 -1426 -2844 -133 -2829 -986 -767 -394 -1376 -126 -65 507 587 -53 571 385 581 724 470 394 -20 -68 -993 505 -1539 728 995 1229 1567 1126 545 1455 853 1459 1538 1927 1973 2288 1589 2064 2571 2951 2966 2773 1970 3558 3165 3906 3381 2756 1946 1614 1564 1815 1848 1786 2983 3199 4260 4427 2985 3156 3204 2575 2307 1774 1798 729 850 37 -541 -217 -1383 -82 998 -261 -2201 -1140 -2284 -1714 -1745 -793 -722 533 159 -983 -1310 -2891 -3381 -2499 -2128 -2000 -85 498 -347 -342 -1523 -4338 -850 -1446 -3387 -2472 -1159 -2037 -142 439 -353 -418 -512 -912 -1631 997 813 2445 3182 1974 2411 3339 2863 3741 2136 -987 1763 2552 1978 2164 -380 -362 -331 701 -712 -2177 -40 1378 -1437 -1624 -4228 SS 20240423T112420.9Z 8879.475242 238 1 5.00 2 75.18 85.86 109.53 270.52 0.00 1 0.00 1 0 25 3.636e-01 2.189e-02 3.321e-01 1.607e-02 6.905005e-01 9.168175e-03 9.197836e-03 -6.000000e+00 2.245698e-01 229.30 -2.00 3.52 -2.00 320.63 0.00e+00 9.138177e-04 3.710182e-03 6.974200e-03 -6.000000e+00 1.038039e-02 281.08 -2.00 20.00 -2.00 320.08 0.00e+00 3.831 0.001 302.00 328.00 3 3.9070e+00 2.8291e-02 6.2316e-02 -6.0000e+00 5.6112e-01 1.5380e-01 3.6352e-02 5.7139e-02 -6.0000e+00 6.0773e-01 -2.4075e-01 3.3966e-02 2.3947e-02 -6.0000e+00 3.5698e-01 1.0203e-01 1.6731e-02 5.5429e-03 -6.0000e+00 1.5165e-01 9.9863e-05 9.2173e-05 4.7170e-04 1.1685e-04 -6.0000e+00 1.1231e-02 -2.2127e-03 -7.3005e-06 12 9 9 12 1 1 999.00 21.53 0.26 -0.00221 -0.00152 1 5 1 5 0 2496.200 26.00 20.01 21.53 12.43 37.4 976.42 900000 92822 -138290 900000 900000 -178925 900000 -177731 900000 -133783 -23253 -4218 900000 -80530 -25322 7691 17612 87123 14594 -29156 43487 -49674 53144 3517 3880 -89908 48185 -78842 56687 -44998 3305 -27933 34105 -31733 -13342 2524 49605 -16966 69183 9874 23648 17678 384 -27338 -4072 14372 -10583 -1683 23395 -6630 2695 17646 21152 4696 -652 8875 9522 7304 765 4318 -6215 19216 6817 12111 4741 2564 2205 11327 146 7919 2939 2296 -5826 3229 -2649 6627 -379 6273 -5952 2858 -5056 -2044 -4255 2412 -2031 153 105 -932 985 258 -2887 -638 -1247 -2097 -1818 -231 -2097 3359 -2210 -1651 -1251 -784 -3946 -2095 -783 -3067 -594 1221 621 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