File name: Pandora64s1_NewHavenCT_20230907_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230908T051600.2Z 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_20230907_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: 20230907 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 20230907T111415.7Z 8650.468237 237 1 48.12 2 81.41 89.46 14.27 188.33 0.00 1 0.00 1 0 25 5.624e-01 3.955e-02 1.815e-01 6.781e-03 6.900108e-01 3.867690e-03 1.267113e-02 -6.000000e+00 3.428036e-01 229.93 -2.00 3.52 -2.00 321.48 0.00e+00 4.858282e-02 1.961176e-03 1.299050e-02 -6.000000e+00 1.535255e-02 288.30 -2.00 20.00 -2.00 320.91 0.00e+00 6.304 0.005 302.00 328.00 3 1.9969e+00 1.3901e-02 8.1033e-02 -6.0000e+00 8.5418e-01 9.6452e-01 1.6305e-02 3.8923e-02 -6.0000e+00 9.2113e-01 -1.2876e+00 1.1084e-02 2.8646e-02 -6.0000e+00 5.4960e-01 5.4187e-01 5.6943e-03 2.5260e-02 -6.0000e+00 2.3391e-01 5.2819e-05 -3.4546e-03 1.9408e-04 7.4147e-04 -6.0000e+00 1.6739e-02 -3.7301e-03 -2.3438e-05 12 8 8 10 0 0 95.99 21.43 0.18 -0.00373 -0.02969 43 10 1 5 0 1118.920 26.00 20.01 21.43 31.16 38.5 1051.03 79438 60561 116625 162053 -142294 88399 81556 -38351 66283 24826 8639 54882 63923 27093 121379 144444 107197 105672 141394 117376 130405 127339 197754 66509 132332 5833 31358 -16459 83814 -24879 69464 108255 109142 98711 141982 58124 90668 31351 98383 25966 82397 24097 54086 14688 52780 43320 79475 43303 69937 15818 72366 51184 57299 36027 46196 16126 15709 7055 23617 19905 22886 20250 32817 29807 35136 19534 19892 25057 16252 15805 7031 7475 2942 3714 -363 1250 4054 -3356 -922 3219 -3852 -2734 -5745 -3873 -5457 -5414 -4854 -2275 -1566 876 -6097 -3227 -11652 -8537 -7313 -2367 -5267 -336 895 1015 -585 -790 -7561 -2529 -4984 -4435 -5061 -73 -3264 135 -762 -658 -926 137 -868 -1043 220 882 2228 3392 2589 3456 3028 3801 3694 3140 588 1368 2840 1120 1407 481 292 -833 306 -597 -1052 -287 358 -572 -1128 -2864 2053 2111 2383 1851 -23447 1381 1078 -1383 717 358 140 693 1076 944 2189 2518 3028 3303 3144 3245 2900 2526 1830 1719 1662 217 886 -782 1829 -1824 2589 3253 3674 3678 3379 2795 3215 2110 3607 2076 3863 2115 3804 1497 4283 4140 5589 4247 5969 2240 6872 5866 6409 5101 5701 2568 2406 1127 3162 2906 3581 3738 6130 6438 7434 4703 4789 5826 4504 4885 2475 2623 1026 1185 -109 337 1047 -1002 -318 1282 -1752 -1382 -3197 -2212 -3367 -3505 -3258 -1517 -1033 541 -3767 -1840 -7099 -5418 -5319 -1941 -4833 -338 949 1056 -577 -757 -7214 -2358 -4736 -4399 -5464 -82 -4228 190 -1192 -1069 -1501 213 -1307 -1552 336 1410 3729 5355 4319 5496 4695 5625 5300 4427 841 2120 4956 2074 2847 1044 670 -1923 743 -1515 -2713 -743 909 -1390 -2604 -6793 SS 20230907T113022.6Z 8650.479428 245 1 13.03 2 78.38 92.13 15.03 201.89 0.00 1 0.00 1 0 25 2.703e-01 1.657e-02 1.361e-01 5.288e-03 5.617188e-01 2.922414e-03 6.933420e-03 -6.000000e+00 1.647792e-01 229.93 -2.00 3.52 -2.00 320.42 0.00e+00 4.620533e-03 1.120075e-03 3.059538e-03 -6.000000e+00 7.379486e-03 288.30 -2.00 20.00 -2.00 319.73 0.00e+00 4.803 0.002 302.00 328.00 3 2.4847e+00 9.0525e-03 5.7745e-02 -6.0000e+00 4.1059e-01 8.5200e-02 1.1204e-02 3.3592e-02 -6.0000e+00 4.4276e-01 -1.5266e-01 9.3778e-03 1.6876e-02 -6.0000e+00 2.6418e-01 6.4025e-02 4.7126e-03 4.8862e-03 -6.0000e+00 1.1244e-01 2.0234e-04 -8.8091e-04 1.6004e-04 8.8505e-05 -6.0000e+00 8.0460e-03 -4.8462e-03 -5.6061e-05 12 9 9 12 1 1 67.73 21.41 0.10 -0.00485 -0.01147 14 13 1 5 0 868.020 25.90 20.01 21.41 31.56 38.6 1052.77 -62476 -39552 30871 -81369 -225316 -113824 9359 -101921 -34030 -60450 -39169 -31910 2904 -24912 15487 -12080 -15955 -12998 1339 4081 -5417 8980 17187 6359 2589 -6345 1073 -16012 5756 -30012 5875 7346 1610 8089 -4512 1588 -2420 2041 3587 4021 3387 2498 7251 617 5927 6266 5689 2634 4085 3072 5959 10450 5121 5770 5010 4649 3117 1698 3250 1960 1814 3327 4116 7054 3508 2472 1388 334 3276 3452 449 583 146 -942 -891 -1808 -295 -2174 -1963 -518 -1163 -2176 -1794 -2885 -1407 -918 -555 31 742 41 -703 -5 -2522 -1712 -370 9 -930 938 893 -669 -230 -2123 -2957 -914 -434 -2010 -740 -167 -549 403 984 -109 550 272 86 -445 471 -75 1484 576 416 234 1217 810 1827 957 -583 263 1593 560 726 -475 -341 -671 166 -155 -650 179 183 -891 207 -817 -818 -493 199 -1388 -14106 -2573 72 -2466 -497 -1127 -673 -557 49 -632 319 -378 -570 -495 47 146 -215 310 579 255 113 -315 49 -851 251 -1934 336 469 114 548 -332 116 -209 201 417 538 496 392 1138 105 980 1057 983 486 773 589 1235 2266 1266 1523 1381 1331 921 503 934 579 571 1146 1566 2842 1379 1013 582 138 1478 1751 250 332 81 -498 -430 -806 -134 -981 -1010 -306 -787 -1572 -1382 -2389 -1237 -801 -504 28 667 38 -603 -4 -2045 -1460 -351 9 -1027 1135 1125 -830 -266 -2414 -3257 -1039 -498 -2448 -952 -229 -787 628 1561 -178 876 436 131 -666 720 -120 2370 950 676 370 1947 1245 2690 1376 -838 404 2566 996 1326 -921 -694 -1390 364 -338 -1448 403 404 -1981 434 -1664 SS 20230907T113437.9Z 8650.482384 248 1 48.28 2 77.58 92.84 15.33 205.22 0.00 1 0.00 1 0 25 2.052e-01 7.988e-03 2.650e-02 1.170e-03 5.427212e-01 6.432876e-04 6.331323e-03 -6.000000e+00 1.250777e-01 229.93 -2.00 3.52 -2.00 320.19 0.00e+00 1.439090e-03 2.327919e-04 1.087455e-03 -6.000000e+00 5.601642e-03 288.30 -2.00 20.00 -2.00 319.49 0.00e+00 4.517 0.002 302.00 328.00 3 1.2653e+00 1.9473e-03 5.3634e-02 -6.0000e+00 3.1166e-01 -1.0934e-02 2.4079e-03 2.9366e-02 -6.0000e+00 3.3609e-01 -7.8701e-03 2.0708e-03 1.4714e-02 -6.0000e+00 2.0053e-01 -5.0054e-03 1.0495e-03 4.2767e-03 -6.0000e+00 8.5346e-02 9.3563e-04 -5.6673e-04 3.5661e-05 5.5122e-05 -6.0000e+00 6.1077e-03 -4.0881e-03 -3.9949e-05 11 9 0 11 8 0 -8.03 21.40 0.15 -0.00409 -0.00835 255 61 1 5 0 189.270 25.90 20.01 21.40 31.67 38.6 1054.06 -62232 -60268 -64608 -62006 -141323 -63972 -62451 -55985 -49430 -37498 -49683 -33638 -31729 -18955 -20083 -7085 -16412 -4426 -9208 1356 -6395 6980 -5088 4915 -5210 1841 -11130 613 -8377 -3996 -4184 5125 -1313 2592 -5239 -1719 -2837 1923 -359 2799 -152 927 939 45 3 1600 -145 1230 -925 -795 2071 2370 1463 1679 397 1004 1441 408 488 158 752 1809 2048 2743 1702 -1057 440 -1541 999 1865 1017 583 293 239 -462 -1819 -986 -2492 -581 -420 -1272 -793 -1379 -2259 -205 -448 386 349 1244 671 546 332 -391 -471 852 252 37 907 702 -532 -435 -1771 -2179 -171 390 -1566 -674 -739 -266 494 930 396 352 118 -284 -242 505 -82 660 315 -230 -242 575 288 869 653 -1220 439 858 255 399 -616 -739 -370 359 -149 -528 430 385 -269 192 -441 -724 -763 -899 -792 -3460 -832 -891 -856 -795 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