File name: Pandora64s1_NewHavenCT_20241206_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241207T045347.3Z 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_20241206_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: 20241206 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 20241206T123919.9Z 9106.527314 59 1 48.19 2 85.18 125.95 132.00 78.50 0.00 1 0.00 1 0 33 5.642e-01 9.390e-02 1.759e-01 3.135e-02 1.022395e+00 1.831521e-02 1.409109e-02 -6.000000e+00 3.341990e-01 222.84 -2.00 3.52 -2.00 320.45 0.00e+00 5.132979e-02 3.983481e-03 3.280801e-03 -6.000000e+00 1.473871e-02 277.79 -2.00 20.00 -2.00 319.95 0.00e+00 10.098 0.019 302.00 328.00 3 -5.9497e-01 5.2369e-02 1.2963e-01 -6.0000e+00 8.2212e-01 3.0379e+00 5.9663e-02 1.2044e-01 -6.0000e+00 8.9326e-01 -2.7407e+00 3.1134e-02 2.4429e-02 -6.0000e+00 5.3252e-01 8.9569e-01 1.6510e-02 3.9954e-02 -6.0000e+00 2.2719e-01 7.5043e-06 -5.4185e-03 7.3395e-04 6.2471e-04 -6.0000e+00 1.6753e-02 4.0878e-03 -2.4251e-04 12 8 8 10 0 0 50.47 21.20 0.45 0.00409 -0.03663 21 5 1 5 0 2294.400 25.68 20.01 21.20 5.79 37.5 933.30 190148 186291 192537 151365 -49502 110421 105915 28234 44176 43698 -14024 39433 35735 41838 125705 112166 93155 169232 111519 123089 90353 154982 76741 36814 -9994 11317 -41988 -31103 -30507 -87425 -5879 40843 60291 89989 69540 60792 -7422 -4926 8451 49213 8009 9990 28832 -37522 -18634 2109 34905 45 10670 -44165 49336 46643 217543 -4248 21893 6946 -4633 -13543 13237 -4734 -22234 9613 23522 -22401 78532 15332 16998 66499 22904 4335 13163 5252 14202 -33152 -5690 -18325 126114 -13260 -20341 16132 2169 -16852 7159 4239 8403 -3057 7424 8355 16771 4302 -5458 -3001 -16452 -20875 1017 10196 720 9437 11152 3738 805 -3994 -23412 -3058 -11448 -10536 -9342 21897 -773 8610 6772 -3106 1159 2930 -2742 -4293 -1279 3522 -5550 1993 -133 13632 4253 7710 5625 -987 -6433 3678 1013 1030 -4317 -1029 -210 -1170 -1338 -418 -1196 1288 2567 1183 -1194 24 25514 26895 24526 23138 -37229 14298 10095 4265 4369 3536 -1866 3829 5334 7959 14242 17146 18428 16130 17849 15716 13324 10069 8143 4436 -1510 1180 -6871 -4587 -5047 -30737 -1290 6611 8783 9801 7840 6737 -1468 -939 1413 5830 1325 1718 4242 -10257 -4323 413 5469 10 2207 -16520 8201 8289 7538 -1184 4643 1566 -1071 -3105 2175 -932 -5565 1984 4854 -7775 10954 3955 4385 10673 6127 1419 3977 1653 3935 -12162 -1457 -4762 8225 -3623 -6841 4870 819 -8637 3051 1906 3748 -1561 3471 3846 6907 1888 -2444 -1258 -7988 -11825 554 6142 567 7909 9847 3469 703 -3182 -20252 -2150 -9203 -8716 -8266 15712 -802 8935 8109 -4384 1596 3917 -3782 -5972 -1794 4935 -8880 2942 -190 16891 5267 9443 6879 -1276 -8402 4942 1673 1974 -9861 -2483 -514 -3104 -3793 -1209 -3510 3714 7133 3114 -3148 57 SS 20241206T125110.0Z 9106.535533 62 1 47.88 2 83.41 128.04 129.89 80.67 0.00 1 0.00 1 0 25 5.435e-01 3.377e-02 2.063e-01 8.406e-03 9.899366e-01 4.941711e-03 1.145776e-02 -6.000000e+00 3.225414e-01 222.84 -2.00 3.52 -2.00 322.16 0.00e+00 3.930016e-02 2.643642e-03 1.046000e-02 -6.000000e+00 1.424151e-02 277.79 -2.00 20.00 -2.00 321.75 0.00e+00 7.917 0.009 302.00 328.00 3 3.3606e-01 1.7896e-02 1.3243e-01 -6.0000e+00 7.9321e-01 1.6942e+00 2.0742e-02 1.4252e-01 -6.0000e+00 8.6125e-01 -2.1153e+00 1.4914e-02 2.6264e-02 -6.0000e+00 5.1359e-01 8.5244e-01 7.6771e-03 3.8323e-02 -6.0000e+00 2.1970e-01 4.0168e-05 -4.3256e-03 2.2031e-04 3.9095e-04 -6.0000e+00 1.6143e-02 1.7588e-04 -1.2153e-04 12 9 8 11 8 0 94.28 21.21 0.23 0.00018 -0.03233 58 14 1 5 0 825.380 25.68 20.00 21.21 6.07 37.6 934.89 95371 85102 130458 93270 -121203 82578 39467 -41541 34257 -7275 -58154 18853 20689 37782 96094 138479 64856 191560 98840 144075 89240 900000 172611 85766 47490 88593 -24639 20408 37449 -24934 71208 158079 61468 100988 73003 60211 63074 92601 67098 119344 61020 54799 56158 19288 34085 68485 78872 58979 34580 29653 73495 44966 114308 48671 75223 46200 20573 32461 45401 51532 25273 33476 42164 17883 52376 23094 41862 33329 35268 21696 29725 14061 17432 5907 11944 -6159 30138 -5821 -98 7815 4296 -220 3335 -3638 -855 -5310 2465 -4446 3480 -2185 -3643 -4488 -10091 -13337 -7278 -6026 -4836 -776 1093 135 435 -151 -6023 -4734 -3479 -5611 -4011 -1344 -3128 -2265 -1494 -1287 -974 -996 -1642 -2066 -756 544 712 3405 2074 3097 3078 4374 3258 3165 -1035 2153 1715 1179 1231 1366 -168 -165 255 200 -1148 263 340 -458 -940 -2815 2842 2980 2818 2432 -17801 1476 853 -1640 536 -152 -1949 365 570 1238 2291 2579 2754 2426 3092 2683 2526 900000 1697 1533 1061 1307 -973 517 893 -1393 2016 2461 2564 2783 2338 2063 2114 2656 2399 2934 2500 2449 2594 1322 2082 3112 3408 3339 2653 2562 4489 3919 5194 4387 5043 3958 2161 2829 3314 3570 2447 3416 4586 2837 6204 3664 5707 5164 5911 4222 5521 3015 3357 1146 2100 -1179 4041 -1244 -22 2001 1335 -81 1284 -1568 -377 -2542 1126 -2192 1561 -988 -1567 -1891 -4596 -7040 -4338 -3973 -3755 -674 1006 124 367 -113 -4328 -3390 -2612 -4503 -3446 -1249 -3416 -2857 -2122 -1814 -1400 -1418 -2296 -2883 -1082 806 1102 5127 3019 4534 4355 5915 4355 4186 -1441 3284 2897 2311 2713 3266 -408 -431 707 568 -3327 755 948 -1198 -2284 -6935 SS 20241206T130140.7Z 9106.542832 65 1 47.84 2 81.87 129.93 128.00 82.53 0.00 1 0.00 1 0 25 5.300e-01 2.176e-02 1.220e-01 3.326e-03 8.737806e-01 1.905778e-03 9.965155e-03 -6.000000e+00 3.143199e-01 222.84 -2.00 3.52 -2.00 321.78 0.00e+00 1.741734e-02 1.034080e-03 1.133986e-03 -6.000000e+00 1.384342e-02 277.79 -2.00 20.00 -2.00 321.34 0.00e+00 6.629 0.005 302.00 328.00 3 5.1113e-01 6.8452e-03 8.2669e-02 -6.0000e+00 7.7326e-01 6.0624e-01 9.4766e-03 5.5866e-02 -6.0000e+00 8.3982e-01 -8.1610e-01 9.5549e-03 2.7437e-02 -6.0000e+00 5.0068e-01 3.3836e-01 4.4433e-03 1.9221e-02 -6.0000e+00 2.1387e-01 1.6900e-04 -2.1692e-03 9.1104e-05 2.6202e-04 -6.0000e+00 1.5739e-02 -5.7129e-04 -1.0708e-04 12 8 8 10 0 0 99.19 21.21 0.20 -0.00057 -0.01687 138 33 1 5 0 346.610 25.68 19.98 21.21 6.28 37.5 935.22 -129847 -147228 -117434 -159224 -303060 -130730 -200195 -162630 -102536 -108408 -166581 -112926 -106176 -97907 -35402 -42007 -21918 -28255 -826 -9450 -6814 -2640 58339 -53114 1227 -46347 -30484 -45218 -15065 -64207 10662 9397 35622 20809 32679 18326 35169 14776 37743 29191 33175 31938 28249 10726 25014 26346 31928 28432 24177 20188 34133 29790 36198 25885 24837 15387 12771 14508 17143 16101 14451 15208 16426 16050 19110 12138 12507 13204 11101 9379 7295 7647 3580 4406 436 643 1434 -474 -942 3173 -452 669 -1082 -2052 -1301 -1363 84 -334 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