File name: Pandora69s1_NewBrunswickNJ_20220115_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T193344.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20220115_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20220115 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- 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 20220115T125425.1Z 8050.537791 254 1 48.80 2 85.01 123.28 107.41 328.25 0.00 1 0.00 1 0 17 7.490e-01 6.413e-02 4.755e-01 5.252e-02 1.237631e+00 3.487600e-02 1.341825e-02 -6.000000e+00 4.633089e-01 223.79 -2.00 3.50 -2.00 322.28 0.00e+00 -2.489040e-02 1.100822e-02 1.098151e-03 -6.000000e+00 2.120004e-02 275.62 -2.00 20.00 -2.00 321.84 0.00e+00 9.848 0.017 302.00 328.00 3 -9.0689e-01 1.0779e-01 1.1653e-01 -6.0000e+00 1.1492e+00 2.7224e+00 1.2738e-01 6.1442e-02 -6.0000e+00 1.2601e+00 -2.7504e+00 9.6438e-02 3.4864e-02 -6.0000e+00 7.4881e-01 9.3435e-01 5.8141e-02 1.2407e-02 -6.0000e+00 3.2904e-01 1.4627e-05 -2.0730e-05 1.4603e-03 1.7616e-04 -6.0000e+00 2.4429e-02 9.1022e-03 4.5214e-05 12 8 8 10 0 0 -38.10 22.42 1.64 0.00910 0.00895 23 5 1 5 0 2121.060 25.68 19.99 22.42 -4.84 13.4 834.24 900000 900000 900000 900000 -12203 900000 -17506 900000 -16137 135101 -34990 100898 900000 331844 900000 44271 900000 5405 900000 15644 158600 900000 -66502 317177 -348 178202 -49066 900000 -66416 900000 9212 900000 104816 -22211 900000 -36671 900000 83879 900000 900000 160082 197437 -3016 313432 45527 155690 51431 900000 -50490 60432 2256 34197 900000 26383 36070 30900 142395 35801 900000 31264 900000 26500 900000 900000 -18634 900000 -23048 32725 31247 85155 27213 29611 -13810 -12866 7782 -22290 154542 5127 115022 -27272 14105 12137 11243 23112 17162 42677 5481 53325 -4580 -13696 -12988 -7056 13922 -25034 25495 -9243 18056 1599 3757 -11955 -2211 2352 1529 -380 -6538 -2053 -15905 3564 -8752 834 -4582 -3508 7979 -4000 4320 -7851 4040 -6340 3200 2275 3981 647 1280 12305 -3162 14100 -4462 6315 -2868 1554 -291 1921 1022 -3276 2942 -1139 3409 -1602 -427 -2022 -1100 247 900000 900000 900000 900000 -1036 900000 -1864 900000 -2017 6880 -4900 5138 900000 16899 900000 3894 900000 651 900000 1376 8076 900000 -12622 16152 -40 9075 -7496 900000 -8609 900000 682 900000 5338 -2365 900000 -3905 900000 4271 900000 900000 8152 10054 -377 15961 2740 7928 2619 900000 -7713 3357 251 3008 900000 2931 3841 3576 7251 3480 900000 2460 900000 2331 900000 900000 -3278 900000 -4588 4090 4484 8673 4661 4798 -3133 -2502 1149 -3973 7870 783 7029 -7575 3376 3090 3123 5992 4926 10649 1801 11677 -1548 -4692 -4563 -2336 4041 -11357 9218 -5135 9027 1074 2574 -9187 -1392 1230 810 -209 -4029 -1275 -11265 2359 -7738 799 -5346 -4401 9234 -5204 5059 -10359 4882 -8834 4134 2875 4608 725 1369 12532 -3338 13570 -4916 7309 -4395 2676 -582 4163 2441 -8888 8008 -3318 9548 -4681 -1171 -5139 -2517 516 SS 20220115T130709.0Z 8050.546631 257 1 49.51 2 83.01 125.49 108.58 330.88 0.00 1 0.00 1 0 17 4.786e-01 1.877e-02 3.435e-01 9.789e-03 1.038002e+00 5.839138e-03 1.099142e-02 -6.000000e+00 2.755033e-01 223.79 -2.00 3.50 -2.00 322.44 0.00e+00 1.205581e-02 2.719475e-03 1.775647e-03 -6.000000e+00 1.116290e-02 275.62 -2.00 20.00 -2.00 322.10 0.00e+00 7.544 0.008 302.00 328.00 3 -4.8270e-01 1.9830e-02 9.3551e-02 -6.0000e+00 6.8350e-01 1.1872e+00 2.8351e-02 5.5649e-02 -6.0000e+00 7.4450e-01 -1.5035e+00 3.0848e-02 3.2235e-02 -6.0000e+00 4.3917e-01 6.0314e-01 1.4986e-02 1.1820e-02 -6.0000e+00 1.8716e-01 1.5016e-04 -1.6022e-03 2.7893e-04 1.8462e-04 -6.0000e+00 1.3570e-02 7.9185e-03 6.7324e-05 12 8 8 10 0 0 40.12 22.43 0.50 0.00792 -0.00412 95 19 1 5 0 521.050 25.68 20.00 22.43 -4.46 13.3 837.34 -180427 88388 -109252 -156647 -153807 -161954 -157381 -44780 -29886 -122943 -95343 -132443 -68764 -102356 -37966 -31500 -1208 64171 -13556 43667 54196 -26388 -31640 -41360 -94814 -32130 -31396 -40477 900000 -33480 28029 -1336 33509 -15458 15071 3093 80485 -903 39569 114174 36057 73609 26541 51347 13627 32324 44810 21810 68488 14337 56888 28948 56058 35595 55412 12458 52643 41096 36528 20945 4926 33781 15672 21721 24400 34311 14725 25326 20824 16996 23491 9220 18962 9396 9724 7629 2342 3691 2484 7764 -1773 546 -2144 -107 -2391 226 3617 2143 3781 1446 -302 -5375 -4682 -5542 -2342 -4021 -1708 -998 -1526 -451 -2478 754 -1247 -3048 -2202 -1513 -2910 -2866 -1204 -2323 -23 -2336 154 -2120 -1387 116 161 371 522 1016 2294 3418 2058 1487 1191 1073 1372 241 -40 952 450 -55 446 261 16 149 494 111 -443 -400 -813 -1348 -6418 844 -1990 -3941 -3203 -3372 -3004 -427 -285 -1600 -993 -2528 -955 -2664 -659 -601 -19 612 -259 455 517 -481 -604 -861 -3290 -585 -545 -737 900000 -755 481 -34 669 -496 327 75 1075 -28 961 1634 1095 1756 944 1426 556 1122 1438 946 2222 809 2369 1758 2821 2347 3077 1070 2969 2460 2155 1417 415 2433 1591 2356 2689 3483 1916 3208 3125 2978 4076 1832 3191 1557 1409 1026 335 589 491 1785 -488 168 -733 -38 -917 88 1398 845 1434 529 -105 -1924 -1739 -2363 -1162 -2456 -1221 -819 -1333 -379 -1945 503 -776 -1963 -1488 -1071 -2268 -2500 -1196 -2734 -30 -3350 219 -3048 -1924 157 226 547 796 1524 3219 4480 2629 1841 1440 1277 1676 339 -68 1834 980 -132 1140 720 46 450 1501 337 -1304 -1088 -2039 -3162 SS 20220115T131841.2Z 8050.554643 260 1 49.11 2 81.25 127.54 109.56 333.30 0.00 1 0.00 1 0 17 7.318e-01 1.256e-02 1.919e-01 3.560e-03 9.048077e-01 2.005777e-03 9.642348e-03 -6.000000e+00 4.208243e-01 223.79 -2.00 3.50 -2.00 321.98 0.00e+00 8.389806e-03 8.941269e-04 1.331716e-03 -6.000000e+00 1.705899e-02 275.62 -2.00 20.00 -2.00 321.66 0.00e+00 6.211 0.004 302.00 328.00 3 -4.3053e-01 6.5803e-03 7.8319e-02 -6.0000e+00 1.0440e+00 4.5086e-01 1.0746e-02 4.9832e-02 -6.0000e+00 1.1378e+00 -5.5842e-01 1.3186e-02 3.0119e-02 -6.0000e+00 6.7071e-01 2.2354e-01 6.2225e-03 1.0900e-02 -6.0000e+00 2.8508e-01 6.4590e-04 -4.9834e-04 1.0155e-04 1.4573e-04 -6.0000e+00 2.0668e-02 7.4394e-03 7.9801e-05 12 8 8 10 0 0 16.22 22.44 0.33 0.00744 0.00369 216 44 1 5 0 227.320 25.68 20.00 22.44 -3.93 13.3 840.07 -298739 -131969 -225511 -229990 -241385 -267578 -202880 -237483 -91070 -272784 -184857 -184042 -147538 -152538 -86690 -80457 -106026 5034 -107435 -37383 -95934 -12472 -64608 -21188 -67061 -44512 -65874 -73238 -37642 -88721 6727 -40212 8010 -10568 -36895 1797 -34035 11321 -15094 28990 1069 28510 12363 20550 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