File name: Pandora69s1_NewBrunswickNJ_20231026_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20231030T113901.8Z 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 v1.8.49 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20231026_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: 20231026 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 20231026T115419.7Z 8699.496061 185 1 50.97 2 84.75 111.28 125.73 303.54 0.00 1 0.00 1 0 25 5.030e-01 4.241e-02 4.576e-01 4.000e-02 8.116830e-01 2.358333e-02 8.881979e-03 -6.000000e+00 2.985277e-01 225.06 -2.00 3.50 -2.00 322.05 0.00e+00 1.273084e-02 9.517350e-03 9.512650e-04 -6.000000e+00 1.416656e-02 283.25 -2.00 20.00 -2.00 321.69 0.00e+00 9.465 0.015 302.00 328.00 3 -1.4281e-01 7.5667e-02 1.0401e-01 -6.0000e+00 7.4626e-01 1.4023e+00 9.0146e-02 4.2972e-02 -6.0000e+00 8.1815e-01 -1.5801e+00 8.0300e-02 2.3150e-02 -6.0000e+00 4.7801e-01 6.0063e-01 4.3182e-02 7.9118e-03 -6.0000e+00 2.0427e-01 2.0848e-05 -3.6721e-04 1.2902e-03 1.1909e-04 -6.0000e+00 1.5444e-02 2.0050e-02 1.0316e-04 12 8 8 10 0 0 98.18 22.89 1.37 0.02005 0.01729 22 5 1 5 0 2315.020 26.00 20.01 22.89 19.19 29.1 966.64 900000 34199 900000 900000 48923 900000 -70525 50541 -63174 900000 900000 130690 -31207 900000 -38794 19352 900000 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1711 4415 -303 5052 7274 5789 5833 4013 1937 849 1636 -229 -890 2952 6513 -2348 4321 7308 -277 -906 3792 6972 -3409 8867 8176 6761 -4380 -836 -1736 -12191 -1706 -618 -812 -2646 5271 -3378 6471 10960 1943 3997 1017 -1705 2830 4550 -6196 -4919 -1828 -2798 7994 -2184 -1151 955 -3802 -4243 -3405 -4918 -1965 -2510 -3160 -1533 -6017 5353 -2226 4635 -3857 2290 -4466 37 32 -6196 2584 2248 3863 -2885 1258 -2271 7522 3173 7260 1347 3665 -958 103 3077 -1178 1236 1151 -1536 -275 -3942 6661 -1975 -788 -5690 SS 20231026T120636.1Z 8699.504584 188 1 49.71 2 82.59 113.37 127.52 306.45 0.00 1 0.00 1 0 17 4.865e-01 1.217e-02 2.644e-01 6.879e-03 7.057654e-01 3.880063e-03 7.641299e-03 -6.000000e+00 2.806828e-01 225.06 -2.00 3.50 -2.00 321.84 0.00e+00 5.512381e-03 1.663369e-03 9.301621e-04 -6.000000e+00 1.148052e-02 283.25 -2.00 20.00 -2.00 321.49 0.00e+00 7.175 0.007 302.00 328.00 3 -8.2078e-02 1.2523e-02 8.0703e-02 -6.0000e+00 6.9823e-01 3.1102e-01 1.7789e-02 3.8724e-02 -6.0000e+00 7.6077e-01 -4.1697e-01 2.0753e-02 2.2172e-02 -6.0000e+00 4.4836e-01 1.6843e-01 1.0151e-02 7.7703e-03 -6.0000e+00 1.9089e-01 2.4627e-04 -5.8076e-04 2.2309e-04 1.0675e-04 -6.0000e+00 1.3748e-02 1.9104e-02 7.5084e-05 12 8 8 10 0 0 5.63 22.89 0.47 0.01910 0.01474 101 21 1 5 0 492.050 26.00 20.00 22.89 19.91 29.1 970.99 -226351 900000 -161274 -192578 -195755 -115483 -162940 -89667 38875 -103447 -95442 -154027 -67495 -128625 -52206 -64631 -77981 14866 -1830 853 -78966 11282 -88701 -54277 -59713 25327 -39706 -24403 64254 -53566 31245 -19830 13561 -14164 14116 -21768 -11809 -1931 4276 21388 6702 3275 -6453 -8035 1177 14380 8399 8217 19015 8010 28924 5362 19578 10932 12596 6556 9124 5283 8405 12189 13945 15381 3297 4929 6394 4179 3474 4398 5128 2405 5864 844 3420 1388 2448 -2381 1410 -3205 -1625 2394 -3920 1708 -1919 398 -2316 427 11 1528 1777 -1023 410 -3079 -1683 -1103 -2170 -1885 -821 456 -212 -382 -294 -636 -542 -718 -2403 -1650 -1757 -1213 -530 -254 -71 -272 467 -764 65 -84 243 525 -140 -404 394 1525 747 1219 792 501 924 1115 488 51 745 -17 -50 15 64 114 99 -364 -369 -96 80 -752 -4692 900000 -1966 -2935 -2864 -852 -2076 -601 261 -902 -832 -2723 -724 -2980 -770 -1143 -1759 160 -25 11 -2118 136 -2812 -1290 -1565 323 -959 -491 560 -1633 545 -617 373 -466 369 -783 -439 -78 196 952 376 202 -456 -588 80 885 568 586 1298 674 2222 575 1993 1306 1543 879 1201 705 1061 1501 1819 2241 621 1001 1290 854 735 989 1304 710 1784 273 1032 394 619 -581 328 -850 -501 844 -1566 725 -908 196 -1261 239 6 890 1015 -567 209 -1703 -928 -608 -1401 -1421 -713 439 -213 -371 -263 -516 -420 -587 -2133 -1536 -1762 -1324 -643 -346 -106 -417 703 -1118 90 -116 345 788 -223 -649 611 2255 1078 1684 1063 657 1226 1638 821 96 1523 -37 -117 37 168 310 276 -1028 -1014 -248 194 -1768 SS 20231026T121732.9Z 8699.512187 191 1 49.87 2 80.70 115.27 129.05 309.15 0.00 1 0.00 1 0 33 3.533e-01 6.289e-03 9.163e-02 2.491e-03 6.104418e-01 1.336038e-03 6.711374e-03 -6.000000e+00 2.038239e-01 225.06 -2.00 3.50 -2.00 321.30 0.00e+00 3.321369e-03 5.267069e-04 6.410341e-04 -6.000000e+00 8.236529e-03 283.25 -2.00 20.00 -2.00 320.98 0.00e+00 5.879 0.004 302.00 328.00 3 -2.3287e-01 4.0783e-03 6.6586e-02 -6.0000e+00 5.0704e-01 8.7390e-02 5.6505e-03 3.2809e-02 -6.0000e+00 5.5245e-01 -1.0174e-01 6.6039e-03 1.8349e-02 -6.0000e+00 3.2537e-01 3.3939e-02 3.2964e-03 6.2134e-03 -6.0000e+00 1.3765e-01 1.0883e-03 -6.0158e-05 7.8068e-05 7.8917e-05 -6.0000e+00 9.9855e-03 1.9268e-02 4.7275e-05 10 0 0 10 0 0 11.45 22.90 0.32 0.01927 0.01882 240 49 1 5 0 207.760 26.00 20.00 22.90 20.71 29.0 975.47 -130425 -102301 -114049 -138362 -126339 -146615 -93648 -108715 -90785 -115631 -99495 -63515 -57644 12932 -52666 -26834 -24324 -354 -36293 -14296 -31337 -23357 -20663 -20085 -16858 -29295 -14765 -28989 -19860 -3944 -7962 -7933 -4571 -10949 -17690 -5146 -15684 -2006 -1262 321 422 8946 4374 1607 5393 2297 4652 204 3082 768 5756 4816 4313 3090 3894 1788 916 1197 1274 4482 1383 2888 3482 2027 3388 1491 1313 1059 2390 623 979 523 893 -48 -450 -502 -1727 -969 -1521 -1442 -1750 -1876 -1793 -1355 -393 -269 806 617 1010 707 1062 -464 -556 -73 -557 171 135 230 -240 163 -198 -229 298 -803 -1583 -983 -604 -157 303 -177 -62 10 21 -54 157 599 204 156 -354 -350 -256 398 11 286 558 42 1240 587 165 144 177 -137 -153 109 -177 -111 295 7 -245 -40 -140 -209 -1236 -820 -1053 -1512 -1166 -1745 -728 -1109 -860 -1489 -1184 -648 -714 101 -884 -443 -437 -6 -785 -285 -678 -480 -447 -466 -402 -828 -359 -787 -513 -101 -253 -294 -184 -469 -785 -216 -845 -114 -87 25 36 747 399 154 509 229 466 22 346 89 711 661 650 508 664 322 169 216 225 781 268 621 844 540 887 390 350 302 765 229 383 208 341 -17 -146 -150 -511 -306 -562 -627 -879 -1052 -1076 -865 -267 -193 594 463 739 488 681 -287 -344 -49 -427 151 137 260 -279 181 -204 -215 268 -774 -1641 -1068 -700 -196 418 -272 -94 16 31 -84 233 874 308 249 -600 -602 -430 644 18 430 805 59 1740 908 288 255 340 -277 -328 248 -430 -278 751 18 -618 -96 -319 -456 SS 20231026T122810.3Z 8699.519564 196 1 49.85 2 78.88 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