File name: Pandora64s1_NewHavenCT_20241112_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241113T131015.5Z 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_20241112_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: 20241112 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 20241112T121029.1Z 9082.507281 157 1 48.17 2 85.18 118.99 133.94 329.86 0.00 1 0.00 1 0 25 6.368e-01 7.164e-02 2.027e-01 2.504e-02 9.496220e-01 1.457508e-02 1.289154e-02 -6.000000e+00 3.784407e-01 223.34 -2.00 3.52 -2.00 321.17 0.00e+00 4.580909e-02 3.876770e-03 1.885099e-03 -6.000000e+00 1.681743e-02 280.46 -2.00 20.00 -2.00 320.63 0.00e+00 10.094 0.019 302.00 328.00 3 -6.2170e-01 4.3345e-02 1.2300e-01 -6.0000e+00 9.3117e-01 2.6201e+00 4.9133e-02 1.0371e-01 -6.0000e+00 1.0105e+00 -2.5165e+00 2.6091e-02 2.3010e-02 -6.0000e+00 6.0316e-01 8.7393e-01 1.4627e-02 3.6592e-02 -6.0000e+00 2.5806e-01 9.8380e-06 -5.7652e-03 6.3147e-04 6.0394e-04 -6.0000e+00 1.8915e-02 -4.6302e-04 -6.9747e-05 12 8 8 10 0 0 6.37 21.41 0.37 -0.00046 -0.04379 25 6 1 5 0 1926.600 25.90 20.02 21.41 15.85 39.3 976.02 193824 165774 170053 191293 -53521 95573 70803 20812 198907 9547 22793 10367 29832 54981 153058 105497 108645 127239 109654 131554 126265 166631 141654 61856 22853 -42427 -32756 -30794 -11131 -84415 22030 32175 63901 27036 107246 19548 47095 -8689 47669 -14060 65726 44980 52450 -32930 15640 45597 31797 8166 40644 -43114 48459 14473 334077 41548 85076 3179 997 -10816 30606 -6095 -11328 25564 30044 -14635 83483 19567 17989 55700 25617 28333 15490 21688 -8110 -14597 -23817 -12866 30953 -4292 -17687 17669 -10825 -5042 -6078 1437 -8439 -12365 5588 1582 9163 5272 -15605 -2953 -23508 -10453 -12304 7088 255 7896 2749 535 -5722 7036 -5101 -3729 -10059 -6253 -1326 12240 -287 5031 1885 -2472 -686 1641 -974 -4865 2371 -3563 -533 5914 -182 5164 5278 5160 4259 -368 -3610 3497 -83 -1588 38 -2872 -2072 -1958 2088 -97 470 187 4058 -941 -1550 -1797 16563 19563 18337 13622 -28281 9917 6915 2541 4856 855 1623 991 3338 6712 9852 11805 12600 12685 12494 11972 10369 7397 6603 5080 2232 -6301 -4065 -3697 -1309 -23186 2983 4255 7375 4016 6665 2647 4704 -1397 4867 -2489 5689 4792 5355 -7370 2395 5364 4446 1522 5683 -13333 6991 3084 8157 6916 8686 685 203 -2281 4008 -1150 -2389 4199 5401 -4258 10377 4517 4272 9272 6198 7295 4641 5969 -2541 -4336 -7401 -3198 4878 -1048 -5928 5059 -4383 -2175 -2832 640 -4327 -6793 2627 776 4083 2317 -7842 -1250 -12244 -5253 -7460 4269 195 6507 2578 505 -5320 5067 -3726 -2678 -8145 -5076 -1106 9837 -299 5753 2516 -3403 -945 2361 -1400 -6634 3378 -5220 -794 8320 -261 7176 7066 6698 5434 -486 -4928 4973 -134 -3000 80 -6730 -5179 -5239 5732 -282 1370 553 11295 -2587 -3985 -4324 SS 20241112T122151.9Z 9082.515184 160 1 48.15 2 83.33 120.98 134.85 333.44 0.00 1 0.00 1 0 17 3.909e-01 2.947e-02 1.550e-01 5.764e-03 8.711182e-01 3.339537e-03 1.062415e-02 -6.000000e+00 2.322032e-01 223.34 -2.00 3.52 -2.00 321.92 0.00e+00 3.052632e-02 1.793629e-03 1.655622e-03 -6.000000e+00 1.032272e-02 280.46 -2.00 20.00 -2.00 321.46 0.00e+00 7.842 0.009 302.00 328.00 3 5.0954e-02 1.2110e-02 9.7954e-02 -6.0000e+00 5.7134e-01 1.1484e+00 1.5002e-02 7.8282e-02 -6.0000e+00 6.2008e-01 -1.4900e+00 1.2183e-02 2.4970e-02 -6.0000e+00 3.7014e-01 6.1819e-01 5.9020e-03 2.9300e-02 -6.0000e+00 1.5829e-01 7.5605e-05 -3.4065e-03 1.5705e-04 4.1931e-04 -6.0000e+00 1.1608e-02 5.6797e-04 -1.4031e-04 12 8 8 10 0 0 14.04 21.42 0.16 0.00057 -0.02503 94 23 1 5 0 512.160 25.90 20.01 21.42 16.29 39.3 978.35 6243 2833 57999 23192 -181483 -17733 -86336 -21431 -73057 7338 -102112 -20969 -41665 38581 -22630 66750 24772 92306 39320 133357 29430 165612 37245 39138 -40961 9738 -45093 33538 -27748 -2650 17009 80072 26444 65720 42535 45131 40433 59732 37728 52090 39292 57101 30372 20065 36983 54911 70548 53319 53232 32075 47257 41083 76401 39689 44525 23448 29802 17004 35940 20557 23545 18935 37142 18308 40440 21305 22383 20126 22389 14124 18269 8631 11665 697 3008 -5248 11648 -4646 426 3966 888 -498 1858 -4537 911 -2457 579 -1126 2282 188 -932 -4769 -5742 -7272 -4961 -4135 -3774 -1144 481 -952 -2146 -656 -5673 -1866 -3063 -4546 -3769 -1177 -3828 -1673 -834 -1453 -1386 -84 -1286 -1050 -44 695 1787 3020 1725 3269 2679 3635 2624 3046 -1125 2035 1254 1659 1409 530 -171 221 98 -18 -878 -75 137 -295 -980 -2391 134 68 800 391 -17936 -317 -2647 -307 -1605 74 -2817 -354 -1107 694 -879 1262 785 1764 1165 1649 857 1210 900 836 -1612 241 -1705 641 -978 -89 608 1980 1148 2105 1554 1573 1545 2048 1619 2103 1887 2392 1754 1323 2135 2778 3208 3079 3264 2622 3670 3674 5075 3975 4209 2684 3106 1920 3250 2206 2647 2545 4801 3237 5972 3788 4072 3592 4352 3321 4304 2236 2759 168 633 -1096 2250 -1064 112 1217 327 -212 830 -2271 459 -1337 317 -634 1227 98 -463 -2386 -2942 -4200 -3059 -3023 -3238 -1103 487 -958 -2028 -543 -4570 -1484 -2628 -4151 -3711 -1246 -4747 -2165 -1198 -2217 -2137 -125 -1885 -1523 -66 1079 2883 4837 2693 4784 3828 4967 3538 4021 -1558 3057 2218 3323 2936 1198 -415 573 254 -48 -2386 -204 362 -782 -2445 -5675 SS 20241112T123149.8Z 9082.522105 163 1 5.88 2 81.75 122.75 135.56 336.66 0.00 1 0.00 1 0 25 3.817e-01 3.211e-02 2.585e-01 1.295e-02 7.530843e-01 7.426158e-03 1.060653e-02 -6.000000e+00 2.298706e-01 223.34 -2.00 3.52 -2.00 321.41 0.00e+00 2.956549e-02 3.594959e-03 6.629214e-03 -6.000000e+00 1.107792e-02 280.46 -2.00 20.00 -2.00 320.93 0.00e+00 6.538 0.005 302.00 328.00 3 1.1401e+00 2.5134e-02 7.6849e-02 -6.0000e+00 5.6626e-01 8.1339e-01 3.1062e-02 4.0123e-02 -6.0000e+00 6.1550e-01 -1.0402e+00 2.5662e-02 3.1936e-02 -6.0000e+00 3.6576e-01 4.3929e-01 1.2497e-02 2.6261e-02 -6.0000e+00 1.5717e-01 1.0055e-04 -1.7685e-03 3.7083e-04 4.9334e-04 -6.0000e+00 1.1622e-02 -2.9247e-03 5.6788e-05 12 9 9 12 1 1 99.21 21.43 0.27 -0.00292 -0.01621 7 16 1 5 0 734.230 25.90 20.01 21.43 16.83 39.2 980.64 -91270 900000 -34469 900000 -194326 900000 -105870 17614 -70434 900000 -128173 90844 -25729 58104 -21915 23378 -3762 900000 91465 56606 20014 900000 51517 31872 -35914 93834 -24249 -226 -33230 -30518 -4775 46712 99896 59579 57736 50242 25713 12009 16811 69563 51500 29256 38979 19835 68172 10673 67024 30346 40783 24852 76241 32999 56264 16679 47831 10293 42177 1019 33011 12746 29382 4633 30368 12082 34646 8230 20325 11678 16790 6637 9049 -753 8272 -5158 9913 -7705 2654 -3129 -2805 -1906 -5061 -5833 -4092 -6058 -1886 -2707 390 -810 -1543 2339 -4158 -583 -8822 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