File name: Pandora64s1_NewHavenCT_20240613_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240619T010809.5Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240613_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: 20240613 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 20240613T100456.6Z 8930.420099 62 1 47.78 2 83.09 64.99 130.64 352.47 0.00 1 0.00 1 0 25 8.781e-01 5.258e-02 2.870e-01 1.472e-02 9.439887e-01 8.943886e-03 1.653785e-02 -6.000000e+00 5.408998e-01 232.88 -2.00 3.52 -2.00 321.87 0.00e+00 8.247667e-02 4.132395e-03 2.358097e-03 -6.000000e+00 2.377687e-02 286.38 -2.00 20.00 -2.00 321.40 0.00e+00 7.603 0.008 302.00 328.00 3 1.0897e+00 3.1653e-02 1.1215e-01 -6.0000e+00 1.3586e+00 2.2796e+00 3.4952e-02 1.4942e-01 -6.0000e+00 1.4624e+00 -2.4983e+00 1.7802e-02 2.4812e-02 -6.0000e+00 8.6933e-01 9.5455e-01 1.0609e-02 6.4199e-02 -6.0000e+00 3.6715e-01 1.7972e-05 -6.0189e-03 3.7083e-04 1.1915e-03 -6.0000e+00 2.6167e-02 -4.7792e-03 -1.1132e-04 12 8 8 10 0 0 22.52 21.60 0.38 -0.00478 -0.05001 25 6 1 5 0 1910.900 26.00 20.01 21.60 23.08 39.3 1024.61 190734 299365 236039 206883 -45452 203066 67556 76097 85142 33310 -27117 255237 34487 58779 238001 197366 146943 222520 183116 174485 123939 264069 900000 193338 94235 12174 -12894 -18810 43092 -57480 66743 114147 96711 160761 96788 82055 81991 32173 101813 26588 113236 26526 94107 -17458 67596 68952 179544 33793 76202 -2378 121972 83132 287774 31996 57346 18516 15985 -11523 101343 9868 59183 29532 43522 47634 82452 19308 46506 50242 38509 26163 31113 31978 12904 -3010 720 -10226 40156 -15183 -4262 16337 1227 -26503 10151 1263 4074 -5244 -2889 2600 3960 5486 -8344 -2765 -18435 -11352 -16677 578 -6639 2515 4004 985 -2394 -632 -10704 -1482 -11336 -10753 -8738 6168 -4991 1526 -1415 -1523 -3125 2085 -3283 -2209 -1796 489 -68 5476 4105 5708 4003 8006 5902 2281 -2150 2189 1035 545 1701 -419 815 146 1136 -369 -1116 -975 1575 -769 -1799 -2668 10752 6939 9677 9542 -16712 5155 3808 2688 1880 919 -1197 3662 1713 3494 3678 5882 8272 6386 7680 7318 7250 3789 900000 2774 1976 470 -598 -997 1522 -7128 3757 5040 5764 4968 4807 4166 3891 2379 3596 1937 3656 1903 3739 -2312 4178 4642 4723 3842 5972 -397 6731 7065 4129 4485 5697 2412 1923 -1666 4968 1176 4834 3814 5765 6993 9101 3964 7340 7708 7056 5920 6834 6777 3048 -688 150 -2145 5053 -3687 -1062 4119 421 -13555 3839 536 1750 -2553 -1415 1221 1818 2378 -3866 -1151 -8918 -5608 -10392 372 -5195 2122 3647 918 -2141 -488 -8732 -1090 -9087 -8959 -7740 5227 -5424 1803 -1949 -2247 -4756 2969 -4805 -3178 -2689 757 -111 8601 6278 8109 5557 10293 7503 2963 -2910 3155 1786 1024 3554 -970 1996 384 3148 -1011 -3092 -2719 4468 -2100 -4601 -6397 SS 20240613T101540.4Z 8930.427550 65 1 48.31 2 81.25 66.65 130.88 355.83 0.00 1 0.00 1 0 25 4.728e-01 3.153e-02 1.831e-01 4.864e-03 8.431551e-01 2.871320e-03 1.243647e-02 -6.000000e+00 2.913402e-01 232.88 -2.00 3.52 -2.00 321.73 0.00e+00 3.818804e-02 1.561216e-03 8.754732e-03 -6.000000e+00 1.280354e-02 286.38 -2.00 20.00 -2.00 321.23 0.00e+00 6.208 0.004 302.00 328.00 3 1.3743e+00 1.0496e-02 7.8946e-02 -6.0000e+00 7.3177e-01 1.0174e+00 1.3098e-02 4.6530e-02 -6.0000e+00 7.8762e-01 -1.3228e+00 1.0640e-02 3.2868e-02 -6.0000e+00 4.6819e-01 5.4686e-01 5.1346e-03 2.8507e-02 -6.0000e+00 1.9771e-01 8.9866e-05 -3.2224e-03 1.3112e-04 5.9609e-04 -6.0000e+00 1.4082e-02 -6.0378e-03 -5.4565e-05 12 8 8 10 0 0 15.63 21.59 0.25 -0.00604 -0.03025 71 17 1 5 0 680.330 26.00 20.01 21.59 23.66 39.2 1027.26 -26128 82983 21427 4509 -197779 33837 -52619 55739 -16053 -28060 -93993 16202 -40290 29606 66493 110388 95300 113868 90679 111542 121034 109086 188377 39014 20847 21668 -4839 -10772 49333 -26872 57695 76032 104774 65005 97832 36036 93216 30522 59304 39927 81927 35519 69777 17642 59900 50113 89601 43451 61611 23448 77379 26006 63671 37013 51107 19160 25368 10006 35124 18068 26927 21442 29433 30801 36300 20321 25436 18340 17783 13226 14496 11022 7750 2863 1029 3591 5027 -2701 377 5276 -19 -5031 -990 -3726 -2813 -3478 -2709 -1408 -561 -170 -5481 -2046 -9121 -6203 -6128 -2100 -3545 103 28 -474 -1259 -417 -6072 -2061 -3237 -3548 -4281 -1070 -2355 -933 -795 -491 -916 -230 -1250 -463 508 399 1791 3228 2291 2644 2498 2767 2757 2379 -469 1083 1791 944 1698 404 299 -628 -62 -424 -801 -49 513 -793 -637 -2404 -631 751 370 82 -20637 321 -998 344 -183 -333 -1945 154 -886 460 1041 1361 1537 1674 1720 1693 1550 1397 983 796 455 442 -126 -279 866 -1147 1532 2019 2385 2018 2181 1321 2211 1329 2122 1877 2914 1914 2858 1278 2996 2939 4122 3091 3879 2325 4938 3005 5326 4213 4980 2503 3019 1329 3544 2228 3309 3190 4670 5471 6386 3807 4645 3733 4027 3502 3970 3132 2153 765 251 781 1071 -677 110 1774 -8 -2480 -504 -2047 -1501 -1957 -1572 -818 -321 -92 -3189 -1104 -5288 -3531 -4096 -1609 -3247 105 31 -512 -1277 -374 -5317 -1769 -3000 -3453 -4545 -1208 -2831 -1261 -1197 -776 -1465 -358 -1896 -689 778 641 2992 5374 3722 4076 3732 3968 3838 3258 -658 1654 3152 1770 3503 906 671 -1517 -158 -1126 -2152 -133 1345 -1982 -1485 -5355 SS 20240613T102853.1Z 8930.436726 70 1 48.17 2 78.96 68.66 131.02 359.99 0.00 1 0.00 1 0 25 5.115e-01 1.347e-02 6.074e-02 1.835e-03 7.193041e-01 1.052278e-03 8.366949e-03 -6.000000e+00 3.151821e-01 232.88 -2.00 3.52 -2.00 321.06 0.00e+00 6.094765e-03 4.968607e-04 2.720804e-03 -6.000000e+00 1.385008e-02 286.38 -2.00 20.00 -2.00 320.48 0.00e+00 5.033 0.002 302.00 328.00 3 1.2817e+00 3.5311e-03 6.4483e-02 -6.0000e+00 7.9166e-01 1.3641e-01 4.7211e-03 4.0736e-02 -6.0000e+00 8.5204e-01 -2.0864e-01 4.5038e-03 2.3030e-02 -6.0000e+00 5.0648e-01 8.2689e-02 2.1519e-03 8.8712e-03 -6.0000e+00 2.1392e-01 4.3984e-04 -1.0174e-03 5.2829e-05 1.3449e-04 -6.0000e+00 1.5232e-02 -6.6409e-03 -3.2312e-05 12 8 8 10 0 0 55.99 21.57 0.19 -0.00664 -0.01429 178 43 1 5 0 270.570 26.00 20.00 21.57 24.49 39.3 1031.65 -189458 -142323 -158410 -121626 -290482 -141655 -186424 -137134 -141247 -125661 -158053 -78918 -108509 -73389 -61304 -26261 -43673 -14603 -33292 -16621 -30398 -8238 -14987 -18835 -36493 -17504 -28861 -22186 -9200 -23331 -1380 2462 7234 5143 1547 -4288 6477 3374 10012 7364 13640 9544 11784 2628 10555 8100 11493 6556 10591 2717 10289 7982 10767 6204 7974 2993 4715 1421 4229 2296 4530 2743 6254 5484 5497 852 2531 982 2430 3235 2377 968 545 576 -207 -2175 -30 -2443 -925 -572 -1046 -2407 -1996 -2544 -774 -703 99 -25 871 608 -140 13 -1745 -1077 -294 34 -660 646 86 -397 -596 -1689 -2393 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