File name: Pandora69s1_NewBrunswickNJ_20221217_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T220549.5Z 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_20221217_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: 20221217 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 20221217T130155.5Z 8386.543004 275 1 49.89 2 83.51 128.43 45.12 205.79 0.00 1 0.00 1 0 25 4.655e-01 2.185e-02 3.369e-01 1.537e-02 8.802413e-01 8.919675e-03 9.506794e-03 -6.000000e+00 2.730528e-01 222.92 -2.00 3.50 -2.00 322.09 0.00e+00 1.274216e-02 3.950871e-03 1.276701e-03 -6.000000e+00 1.248509e-02 277.38 -2.00 20.00 -2.00 321.76 0.00e+00 8.027 0.009 302.00 328.00 3 -5.2007e-02 2.9029e-02 9.2490e-02 -6.0000e+00 6.7918e-01 1.0501e+00 3.8818e-02 4.6535e-02 -6.0000e+00 7.4432e-01 -1.2994e+00 4.0983e-02 2.5823e-02 -6.0000e+00 4.3451e-01 5.2947e-01 2.0360e-02 9.0553e-03 -6.0000e+00 1.8285e-01 7.4101e-05 -2.0413e-03 4.5301e-04 1.3859e-04 -6.0000e+00 1.3639e-02 1.1763e-02 1.0316e-04 12 8 8 10 0 0 0.19 22.82 0.73 0.01176 -0.00358 49 10 1 5 0 1017.900 26.00 20.00 22.82 9.24 22.5 933.40 -101414 -9492 -114380 -111510 900000 -144771 900000 -146239 900000 -110981 900000 -87201 900000 900000 -74504 900000 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2263 2032 1699 3391 -265 1671 587 716 3432 -57 3142 625 4410 2151 2943 3272 -359 2392 -627 194 -2513 801 -1333 -8 619 1601 1354 410 -851 145 950 -3212 746 79 547 -131 -1795 -4549 -4615 -90 2048 1630 -1571 510 -1947 -595 -2319 -1587 -423 -5817 -2166 -1796 720 -598 -1525 -1913 398 -1640 -606 1224 -1849 1931 -1531 -704 1230 3320 3154 3782 3419 165 5006 644 1223 -2005 541 253 3199 18 941 -1519 -1599 1870 -664 -399 141 -4447 SS 20221217T131255.8Z 8386.550645 278 1 49.14 2 81.90 130.38 46.11 209.31 0.00 1 0.00 1 0 17 5.450e-01 1.481e-02 2.250e-01 5.483e-03 7.732938e-01 3.032579e-03 8.373562e-03 -6.000000e+00 3.135983e-01 222.92 -2.00 3.50 -2.00 321.79 0.00e+00 6.935425e-03 1.304806e-03 1.037405e-03 -6.000000e+00 1.276696e-02 277.38 -2.00 20.00 -2.00 321.47 0.00e+00 6.648 0.005 302.00 328.00 3 1.1742e-02 9.6944e-03 7.7610e-02 -6.0000e+00 7.7801e-01 4.1906e-01 1.4284e-02 4.1910e-02 -6.0000e+00 8.4914e-01 -5.4149e-01 1.6724e-02 2.4438e-02 -6.0000e+00 4.9888e-01 2.1983e-01 8.1179e-03 8.6504e-03 -6.0000e+00 2.1160e-01 3.2610e-04 -7.9168e-04 1.6452e-04 1.1597e-04 -6.0000e+00 1.5554e-02 1.2083e-02 6.9287e-05 12 8 8 10 0 0 21.96 22.82 0.43 0.01208 0.00613 117 24 1 5 0 419.890 26.00 20.00 22.82 10.10 22.4 938.68 -24784 -190051 -199272 -191852 -197466 -45037 -191639 900000 -219601 -152268 -179641 -109730 -152416 -73655 -26473 -101886 61853 -63383 -24901 -62435 85121 -39193 7745 -18193 -44969 11207 -74585 -21396 -56560 27172 -26321 29664 23722 -9295 56502 -22811 29340 -21086 36073 10006 31046 3224 22754 6709 3617 35444 -3105 36639 -5907 35527 13528 20447 18631 15904 20367 8498 21724 4089 14668 3615 17118 5916 11723 12515 7961 14250 915 11691 1393 7666 4126 7105 3026 4710 4014 -3281 3794 -6476 1838 -2842 1332 -2811 -1322 -1088 -975 560 -515 1848 -1339 1503 -850 693 -1910 -1683 -2797 -1718 448 -1307 611 -1454 -122 -1417 -400 -979 -1873 -778 -2091 -1191 -1208 -369 -653 -154 241 84 4 -380 343 -422 351 -625 1476 241 1476 1045 978 749 1424 1039 11 724 256 646 151 265 -174 -227 529 -579 -99 -499 -246 -812 -132 -3232 -3776 -3076 -3071 -241 -2980 900000 -5229 -1924 -3230 -1226 -3481 -1002 -283 -2723 397 -1417 -399 -1487 500 -724 94 -301 -1005 147 -2283 -374 -1484 370 -755 577 553 -303 906 -842 727 -1025 1192 496 1358 197 1194 421 239 1757 -235 1976 -479 2296 1127 1758 1784 1686 2150 1037 2332 508 1588 440 1952 856 1848 2168 1472 2463 187 2296 344 2011 1197 2016 853 1198 921 -741 791 -1639 508 -986 517 -1286 -641 -560 -536 319 -307 1091 -801 824 -445 344 -988 -956 -1874 -1342 401 -1346 643 -1509 -115 -1213 -320 -819 -1685 -731 -2140 -1327 -1516 -521 -940 -229 356 130 5 -558 517 -674 583 -1054 2353 373 2185 1492 1353 1011 1940 1580 19 1427 513 1379 345 645 -453 -608 1432 -1597 -265 -1253 -577 -1819 SS 20221217T132407.0Z 8386.558415 281 1 48.49 2 80.30 132.42 47.23 212.76 0.00 1 0.00 1 0 25 4.458e-01 7.081e-03 1.220e-01 2.651e-03 6.819505e-01 1.430283e-03 7.450751e-03 -6.000000e+00 2.553565e-01 222.92 -2.00 3.50 -2.00 321.42 0.00e+00 2.626521e-03 5.809088e-04 7.623084e-04 -6.000000e+00 1.038961e-02 277.38 -2.00 20.00 -2.00 321.11 0.00e+00 5.668 0.003 302.00 328.00 3 -1.6223e-03 4.3998e-03 6.6461e-02 -6.0000e+00 6.3228e-01 1.2383e-01 6.4005e-03 3.6450e-02 -6.0000e+00 6.8964e-01 -1.3685e-01 7.7085e-03 2.1179e-02 -6.0000e+00 4.0680e-01 4.6018e-02 3.8018e-03 7.4065e-03 -6.0000e+00 1.7311e-01 9.5881e-04 -3.2878e-05 8.1136e-05 8.7764e-05 -6.0000e+00 1.2589e-02 1.1495e-02 7.0169e-05 11 8 0 10 0 0 3.96 22.83 0.32 0.01150 0.01125 211 43 1 5 0 229.730 26.00 19.99 22.83 10.62 22.4 942.31 -179586 -95261 -163818 -187149 -108907 -137354 -87797 -165667 -130295 -120624 -105695 -107748 -109256 -93926 -80690 -19585 -56930 37430 -23327 2812 -33475 -36150 -41227 -30406 -35013 -27854 -16525 -39309 -34031 -24783 -1674 -13819 -9771 -3154 -17982 -5148 -9404 8537 -1609 9678 -179 270 2187 1386 6302 -785 9602 894 7407 -990 6041 5218 3671 6104 3211 5148 1979 4603 302 2282 3206 3557 4192 3252 2730 -7 2388 130 2549 827 1487 921 600 448 -1048 53 -2172 1 -1256 -540 -973 -1679 -1213 -987 -413 -1140 992 358 1524 269 1036 -289 -482 212 34 -47 185 133 -215 339 -640 -234 -369 -847 -1713 -1223 -397 -902 45 -282 58 -226 148 104 192 522 -20 172 -270 -270 190 350 130 -102 614 317 1424 784 400 92 135 39 -99 -66 -261 -223 324 -8 -96 -68 -180 -266 -1811 -468 -1652 -2023 -563 -994 -431 -2013 -1246 -1123 -929 -1198 -1610 -1391 -1308 -223 -963 300 -368 36 -614 -637 -833 -600 -773 -602 -350 -924 -792 -617 -40 -442 -340 -104 -663 -178 -391 359 -92 578 -13 21 172 112 496 -68 779 83 689 -102 652 630 494 869 495 807 325 721 48 360 539 673 901 773 659 -2 586 35 760 284 543 343 215 149 -318 15 -600 0 -435 -220 -462 -903 -698 -603 -269 -790 697 256 1059 178 635 -171 -288 137 26 -41 186 149 -250 378 -663 -218 -329 -794 -1728 -1293 -446 -1109 62 -397 88 -355 229 153 292 778 -32 258 -428 -432 293 564 203 -152 882 443 1986 1211 648 167 266 82 -219 -155 -654 -577 851 -22 -249 -167 -416 -587 SS 20221217T133208.3Z 8386.563985 286 1 47.88 2 79.19 133.91 48.10 215.15 0.00 1 0.00 1 0 25 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