File name: Pandora69s1_NewBrunswickNJ_20231025_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20240123T184230.2Z 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 v1.8.59 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20231025_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: 20231025 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 20231025T115316.9Z 8698.495335 142 1 49.86 2 84.72 110.83 138.14 310.35 0.00 1 0.00 1 0 25 5.178e-01 5.324e-02 4.678e-01 5.177e-02 9.023641e-01 3.210878e-02 1.029350e-02 -6.000000e+00 3.218747e-01 225.15 -2.00 3.50 -2.00 322.01 0.00e+00 -9.192373e-03 1.110631e-02 7.971294e-04 -6.000000e+00 1.444242e-02 283.37 -2.00 20.00 -2.00 321.63 0.00e+00 9.423 0.015 302.00 328.00 3 5.1279e-02 1.0002e-01 1.0552e-01 -6.0000e+00 8.0394e-01 1.7186e+00 1.1538e-01 4.7005e-02 -6.0000e+00 8.8434e-01 -1.9149e+00 8.4377e-02 2.4483e-02 -6.0000e+00 5.1381e-01 7.2773e-01 4.7427e-02 7.9488e-03 -6.0000e+00 2.1641e-01 1.5204e-05 -3.1346e-03 1.6199e-03 1.3275e-04 -6.0000e+00 1.6297e-02 1.9449e-02 1.2742e-04 12 8 8 10 0 0 -16.65 22.81 1.64 0.01945 -0.00411 16 3 1 5 0 3115.710 26.00 19.99 22.81 14.88 28.6 937.31 900000 -12796 183464 900000 -17720 900000 -61532 900000 21993 4230 900000 -82595 71139 -31622 139345 -12255 127474 49384 900000 46509 -50955 900000 105689 900000 900000 60656 120063 900000 900000 900000 900000 900000 900000 900000 900000 46646 900000 36550 -11946 260867 52137 46636 27787 900000 -27090 900000 -255 106550 40953 -7510 31178 72839 120444 23948 -5267 7900 -13709 67218 153044 58311 900000 14732 -3040 58648 -20123 49601 65222 76386 3314 20998 45709 8354 56288 -4703 79522 -30972 61008 17522 22688 -1176 -17267 7345 -19725 5442 -6989 13337 -4341 25587 -4913 9113 -9161 -4614 16912 -20371 -3002 -2769 5854 -8470 250 4599 1308 -5543 -3086 5924 -14712 -1485 -11502 -6460 -2920 2270 11749 -3374 7778 2072 2832 -4314 -2276 -1957 2375 355 1594 3918 -3712 3871 -2942 2401 798 7023 5890 3938 -659 -3852 -2004 530 1090 -1386 881 -208 -339 -1423 3383 -2277 900000 -1286 9218 900000 -1113 900000 -5926 900000 1105 230 900000 -11413 3575 -3310 7002 -1232 6405 2933 900000 2549 -6187 900000 5311 900000 900000 3048 6033 900000 900000 900000 900000 900000 900000 900000 900000 2344 900000 2337 -1473 13108 4049 3834 2666 900000 -3960 900000 -27 5354 2993 -961 2991 4991 6052 3063 -938 1263 -2693 5527 7690 4528 900000 1951 -542 6162 -4688 5664 6554 7327 742 4412 7934 2099 8228 -1139 7265 -7640 5852 2801 4042 -317 -6389 2416 -9190 2088 -3224 5239 -2082 9116 -2311 3497 -3934 -1833 5562 -10794 -1563 -1695 3851 -7312 208 3550 962 -3899 -1973 3572 -11626 -1085 -10035 -5932 -2947 2509 13256 -4700 9806 2706 3544 -5734 -3056 -2754 3341 511 2177 4994 -4934 4597 -3629 2742 940 8694 8582 6674 -1300 -8498 -4651 1291 2818 -3799 2395 -575 -907 -3581 7526 -5034 SS 20231025T120551.6Z 8698.504069 145 1 49.76 2 82.50 112.98 139.78 314.12 0.00 1 0.00 1 0 30 5.025e-01 1.409e-02 3.210e-01 8.569e-03 7.455441e-01 4.877726e-03 8.002961e-03 -6.000000e+00 2.909914e-01 225.15 -2.00 3.50 -2.00 321.92 0.00e+00 3.366500e-03 2.122326e-03 1.021811e-03 -6.000000e+00 1.200537e-02 283.37 -2.00 20.00 -2.00 321.58 0.00e+00 7.100 0.006 302.00 328.00 3 2.7883e-01 1.5814e-02 8.1113e-02 -6.0000e+00 7.2480e-01 4.1638e-01 2.2672e-02 4.0890e-02 -6.0000e+00 7.9079e-01 -5.6880e-01 2.6476e-02 2.3668e-02 -6.0000e+00 4.6582e-01 2.3174e-01 1.2956e-02 8.3727e-03 -6.0000e+00 1.9680e-01 1.7349e-04 -4.3749e-04 2.7636e-04 1.1453e-04 -6.0000e+00 1.4461e-02 1.9704e-02 7.2271e-05 12 8 8 10 0 0 -15.46 22.81 0.44 0.01970 0.01642 75 15 1 5 0 663.330 26.00 20.00 22.81 15.73 28.7 942.55 -158757 -49748 -173163 900000 -173098 -119744 -193394 -94356 -54411 -98859 -123749 -177676 -36743 -58657 900000 -75858 142264 -96046 900000 -54364 -59085 -35296 -67993 43163 -62300 135118 -72921 -21671 -72948 24059 17938 -5457 80021 -15514 138750 -18947 13652 10184 27332 5579 13743 34702 -39 23103 7656 24191 -6149 53681 -1679 34596 12818 30 8405 9156 17086 4398 13632 8425 32473 -1712 15086 5098 5544 14281 2565 15739 666 6409 -1512 11062 4779 3368 3213 -839 1524 -4965 3557 -4845 1573 -40 -910 -3432 -961 -969 -3192 622 -487 4034 -1810 3885 1025 262 -861 -2538 626 -2280 -278 -131 123 -1166 -494 -1147 -660 -985 -4201 -1075 -1740 463 -1396 127 -223 -860 30 -854 832 -1269 823 -377 1134 109 1445 296 1065 1033 -73 941 1104 1541 -738 578 269 143 138 43 123 -144 347 -297 -257 26 -132 -927 -2099 -415 -2892 900000 -2409 -1091 -3634 -788 -454 -976 -1691 -4699 -335 -846 900000 -1689 1188 -3141 900000 -1248 -1398 -723 -1893 459 -1821 1128 -2385 -444 -2386 384 368 -166 1154 -529 1159 -672 435 369 1008 295 727 1570 -3 1222 480 1313 -466 2354 -137 2167 1124 3 930 1083 1950 588 1670 1055 3096 -231 1848 781 968 2504 511 2727 139 1356 -364 2651 1299 935 852 -231 367 -1171 765 -1241 448 -13 -340 -1479 -435 -467 -1688 334 -273 2192 -1022 1952 496 123 -416 -1376 383 -1683 -235 -124 120 -1112 -431 -909 -497 -782 -3675 -963 -1692 484 -1671 169 -326 -1312 45 -1243 1141 -1763 1161 -568 1765 173 2183 436 1507 1405 -97 1211 1444 2237 -1253 1084 553 314 321 108 326 -395 968 -839 -704 68 -321 -2159 SS 20231025T121647.9Z 8698.511666 148 1 49.69 2 80.60 114.88 141.12 317.58 0.00 1 0.00 1 0 17 4.127e-01 7.258e-03 1.140e-01 3.085e-03 6.335601e-01 1.667066e-03 6.977285e-03 -6.000000e+00 2.381776e-01 225.15 -2.00 3.50 -2.00 321.37 0.00e+00 2.638626e-03 6.641990e-04 6.997091e-04 -6.000000e+00 9.622239e-03 283.37 -2.00 20.00 -2.00 321.05 0.00e+00 5.826 0.004 302.00 328.00 3 1.5395e-01 5.1328e-03 6.6848e-02 -6.0000e+00 5.9262e-01 9.2076e-02 7.1719e-03 3.4261e-02 -6.0000e+00 6.4566e-01 -1.2440e-01 8.3942e-03 1.9389e-02 -6.0000e+00 3.8024e-01 4.3789e-02 4.1721e-03 6.6430e-03 -6.0000e+00 1.6082e-01 7.6044e-04 -4.2829e-05 9.6616e-05 8.6838e-05 -6.0000e+00 1.1666e-02 1.9684e-02 5.0492e-05 11 8 0 10 0 0 30.38 22.82 0.32 0.01968 0.01936 176 36 1 5 0 282.270 26.00 20.01 22.82 16.72 28.6 949.34 -168296 -71346 -149496 -126389 -144458 -132493 -155362 -149753 -124584 -88806 -144162 -80977 -61019 -58233 -15959 -48438 -33996 -49815 -47052 -35046 -24189 -22724 -21524 -14968 -17803 -26067 -22296 -24327 -16574 -23768 -12366 -14008 -983 -6895 -2501 -7978 -1934 333 8781 2036 1739 2130 2712 8074 908 3190 1726 2790 4428 6184 5846 6533 5829 1397 4453 199 2342 3077 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