File name: Pandora64s1_NewHavenCT_20231115_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231116T044615.4Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231115_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: 20231115 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 20231115T121221.4Z 8719.508582 61 1 48.29 2 85.36 119.66 110.63 109.36 0.00 1 0.00 1 0 25 4.986e-01 9.409e-02 2.192e-01 3.477e-02 9.193142e-01 1.993551e-02 1.056474e-02 -6.000000e+00 2.966848e-01 223.16 -2.00 3.52 -2.00 320.71 0.00e+00 -1.544195e-02 4.456717e-03 5.607161e-03 -6.000000e+00 1.342040e-02 280.22 -2.00 20.00 -2.00 319.93 0.00e+00 10.362 0.021 302.00 328.00 3 -2.5433e-01 5.6269e-02 1.2137e-01 -6.0000e+00 7.3155e-01 2.4008e+00 6.5092e-02 7.7843e-02 -6.0000e+00 7.9453e-01 -2.0077e+00 3.7278e-02 2.2866e-02 -6.0000e+00 4.7255e-01 5.7479e-01 1.9303e-02 1.7689e-02 -6.0000e+00 2.0204e-01 6.5190e-06 1.4447e-03 9.4351e-04 1.9807e-04 -6.0000e+00 1.4838e-02 -6.3791e-04 -9.2460e-05 12 8 8 10 0 0 -6.82 21.10 0.69 -0.00064 0.01022 17 4 1 5 0 2840.010 25.68 19.97 21.10 8.05 36.6 940.61 62936 25045 -1535 -605 21611 29112 38950 -22645 900000 2759 6206 5192 34586 17082 100380 35103 66787 31932 58863 41295 101556 106874 900000 121322 248157 12572 42727 -53717 124771 -105277 51350 27510 85951 5836 69297 -14056 83913 -1085 74559 2199 214279 12758 70488 -41157 41467 -9288 75653 40377 50178 -54527 83851 -18571 160335 2672 75603 31358 50862 14838 51388 4925 3100 11722 29091 49687 37717 6031 31039 52804 38427 38779 33054 27811 3199 6273 -12213 -8429 55771 19189 -21457 36178 -14334 -39851 6135 20828 -350 14711 2423 14110 10573 27036 -18828 35979 -27360 5917 9640 28365 -3561 13877 -1562 -4227 -12070 1478 -8842 -5831 -2854 -17089 -4824 32960 -1298 11514 11084 -720 4460 -1375 -1625 -5534 947 -3720 -35 -899 -222 -746 3819 1752 9021 -7952 -5202 7221 1461 -2296 161 -7329 -104 -3003 3871 -1225 4769 1320 4458 -2355 -2504 -631 8531 4629 -299 -103 2530 3139 4080 -4744 900000 476 1032 944 5114 3263 8968 6164 8436 5607 7435 5852 7196 6914 900000 8634 8410 2363 5265 -14894 5920 -47677 5379 3899 7864 1007 6341 -2728 7394 -237 9854 603 7988 3184 10272 -15216 6886 -2203 8204 6294 7312 -22006 10230 -6122 10324 799 12298 7342 10514 3703 8882 1153 745 2781 7000 10440 8819 1728 7889 11452 10809 10752 9980 8654 1173 1990 -4063 -2685 9261 4942 -8792 10666 -7286 -29342 3024 9304 -203 7523 1418 7216 5374 10828 -11195 13290 -17869 3099 5643 15904 -3138 11457 -1545 -4102 -11565 1102 -6919 -4634 -2321 -16742 -4518 23253 -1472 13089 14001 -1069 6334 -2020 -2318 -8150 1350 -5787 -54 -1394 -326 -1050 5013 2267 10672 -10927 -7147 10011 2497 -4619 351 -17013 -244 -7786 10024 -3432 12766 3678 11659 -6172 -6173 -1450 SS 20231115T122355.3Z 8719.516613 64 1 48.07 2 83.49 121.68 108.69 110.96 0.00 1 0.00 1 0 25 5.472e-01 3.260e-02 2.030e-01 7.258e-03 8.637136e-01 4.204207e-03 1.118944e-02 -6.000000e+00 3.249004e-01 223.16 -2.00 3.52 -2.00 322.01 0.00e+00 4.130964e-02 2.264095e-03 1.179842e-03 -6.000000e+00 1.443520e-02 280.22 -2.00 20.00 -2.00 321.56 0.00e+00 7.997 0.009 302.00 328.00 3 2.0106e-01 1.5418e-02 1.0067e-01 -6.0000e+00 7.9918e-01 1.3520e+00 1.8382e-02 8.7864e-02 -6.0000e+00 8.6743e-01 -1.7298e+00 1.3742e-02 2.4690e-02 -6.0000e+00 5.1778e-01 7.1066e-01 6.8372e-03 3.5588e-02 -6.0000e+00 2.2151e-01 5.2903e-05 -4.1756e-03 1.9810e-04 5.6915e-04 -6.0000e+00 1.6251e-02 -1.0187e-04 -1.0777e-04 12 9 8 11 8 0 1.01 21.08 0.30 -0.00010 -0.03148 75 18 1 5 0 640.880 25.68 20.03 21.08 9.03 36.6 945.24 155670 100972 127122 44233 -136591 27901 40050 -73932 59497 -71367 -31774 -78996 18191 3899 140983 70167 136566 72408 115580 73637 88852 140122 281717 44877 74687 46410 -2444 6728 43148 -40136 106229 74109 75817 80898 71223 45498 60128 71286 64358 31467 57998 53989 45232 14850 36864 68906 77179 65927 42000 34622 68569 126970 66984 46930 40020 46999 22538 27092 19990 24475 16553 34197 25230 42684 37640 33275 17422 31245 15104 24608 10860 16209 7804 6322 3422 1816 7158 522 -384 8692 -194 -5926 97 -340 132 -865 -985 -1422 1469 777 -2806 -5220 -8859 -9758 -7751 -6047 -3762 -1986 1057 261 -394 -2253 -5972 -4274 -2897 -6954 -4386 -2418 -2402 -2037 341 -1539 -429 -1570 -630 -1681 1184 493 1524 2157 2860 2233 3923 3749 3896 1861 -42 1398 2209 1291 1569 499 212 -443 481 -682 -799 -377 884 -686 -673 -2677 1602 1949 1881 1281 -17641 610 618 -2949 589 -2112 -613 -3049 386 135 1796 1986 2416 2376 2699 2274 2327 1884 1994 1143 1216 920 -76 195 977 -2376 2105 2413 2736 2748 2369 1868 2170 2422 2505 1640 2627 2636 2561 1080 2253 3560 3878 3966 3080 2918 4500 5481 4999 4408 3914 4112 2407 2614 2006 2409 1917 3806 3555 5739 5570 5095 3206 5186 3246 5335 2809 3952 1943 1452 722 355 1326 114 -102 2561 -67 -2450 41 -149 61 -423 -499 -734 729 371 -1302 -2392 -4243 -5208 -4804 -4429 -3188 -1770 982 240 -367 -1905 -4815 -3451 -2460 -6447 -4304 -2370 -2686 -2609 478 -2329 -649 -2361 -911 -2436 1734 764 2461 3493 4436 3317 5556 5142 5207 2500 -58 2113 3876 2420 3267 1131 516 -1156 1326 -1831 -2164 -1026 2490 -1843 -1687 -6412 SS 20231115T123413.7Z 8719.523770 67 1 48.42 2 81.86 123.52 106.98 112.39 0.00 1 0.00 1 0 25 5.194e-01 2.023e-02 8.634e-02 2.800e-03 7.589353e-01 1.574099e-03 9.046053e-03 -6.000000e+00 3.085142e-01 223.16 -2.00 3.52 -2.00 321.52 0.00e+00 1.416098e-02 8.268074e-04 3.194019e-03 -6.000000e+00 1.370425e-02 280.22 -2.00 20.00 -2.00 321.04 0.00e+00 6.619 0.005 302.00 328.00 3 3.9663e-01 5.5738e-03 7.7482e-02 -6.0000e+00 7.5889e-01 3.7741e-01 7.5773e-03 4.1587e-02 -6.0000e+00 8.2359e-01 -5.4051e-01 7.4121e-03 2.7077e-02 -6.0000e+00 4.9161e-01 2.2720e-01 3.4774e-03 1.5175e-02 -6.0000e+00 2.1040e-01 2.3074e-04 -1.9228e-03 8.0278e-05 2.5017e-04 -6.0000e+00 1.5428e-02 -1.4667e-03 -7.1879e-05 12 9 8 11 8 0 29.32 21.11 0.24 -0.00147 -0.01592 177 43 1 5 0 273.510 25.68 19.98 21.11 9.82 36.7 948.88 -172897 -114522 -154547 -125297 -296074 -129442 -185918 -153759 -158513 -117721 -156752 -111802 -109906 -60432 -64052 -9601 -36955 1112 -23825 17214 -39726 -159 -17068 -24753 -44935 -7595 -30059 -27154 -30565 -29539 3174 20722 14952 26227 22872 4208 11799 7945 17317 16767 19817 14195 27076 7905 20645 21916 32053 21550 24824 9445 31162 32881 29850 18519 20973 11474 14015 4758 14553 5291 12058 7179 16516 13906 14256 6277 10397 5300 7796 4759 5119 3963 3164 400 1377 -2829 2028 -3992 -123 408 -413 -2314 -1967 -3235 -1551 -2073 -185 147 763 707 -930 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