File name: Pandora69s1_NewBrunswickNJ_20220804_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T210937.3Z 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_20220804_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: 20220804 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 20220804T105241.3Z 8251.453256 68 1 49.42 2 81.02 75.05 147.51 25.40 0.00 1 0.00 1 0 17 5.048e-01 1.493e-02 3.415e-01 1.041e-02 7.536718e-01 5.941495e-03 8.049666e-03 -6.000000e+00 3.044937e-01 232.18 -2.00 3.50 -2.00 321.72 0.00e+00 6.781876e-03 2.460680e-03 9.374638e-04 -6.000000e+00 1.276114e-02 290.25 -2.00 20.00 -2.00 321.39 0.00e+00 6.061 0.004 302.00 328.00 3 1.5957e+00 1.8903e-02 7.3401e-02 -6.0000e+00 7.7195e-01 4.0122e-01 2.6987e-02 4.1977e-02 -6.0000e+00 8.3801e-01 -5.5946e-01 3.1301e-02 2.3581e-02 -6.0000e+00 4.8530e-01 2.2944e-01 1.5277e-02 8.0038e-03 -6.0000e+00 2.0109e-01 1.1530e-04 -4.1031e-05 3.2080e-04 1.0359e-04 -6.0000e+00 1.4686e-02 8.8390e-03 1.0491e-04 12 8 8 10 0 0 35.03 22.73 0.64 0.00884 0.00853 35 7 1 5 0 1411.740 25.90 20.01 22.73 30.56 21.1 1037.31 -89839 -114802 -223346 -141186 900000 -140716 900000 900000 -185802 -85871 900000 -98068 -143940 -139611 -68542 -15164 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1713 796 1080 940 2290 1657 1608 1193 1629 -1083 -516 -842 -1663 -961 1620 -1209 490 -340 33 341 284 1414 1761 1185 167 309 -848 -376 -1481 -2021 768 -2059 -796 -1615 -1703 20 2010 -417 -1411 -2660 -1910 -2055 -3069 -302 493 -197 -1176 -1003 -777 -65 -166 975 764 553 -821 530 2215 980 3003 1254 582 1790 1477 703 27 1133 727 1215 1322 -393 -1181 1120 -1632 -951 818 -2062 -1513 SS 20220804T110436.4Z 8251.461532 73 1 49.38 2 78.82 76.88 146.54 30.24 0.00 1 0.00 1 0 17 4.100e-01 7.749e-03 1.277e-01 3.641e-03 6.445821e-01 1.999692e-03 7.006128e-03 -6.000000e+00 2.431669e-01 232.18 -2.00 3.50 -2.00 321.30 0.00e+00 3.790513e-03 7.674572e-04 6.446309e-04 -6.000000e+00 9.556959e-03 290.25 -2.00 20.00 -2.00 320.98 0.00e+00 4.974 0.002 302.00 328.00 3 1.2318e+00 6.0962e-03 6.0770e-02 -6.0000e+00 6.1516e-01 9.1852e-02 8.4401e-03 3.5330e-02 -6.0000e+00 6.6640e-01 -1.4782e-01 9.7934e-03 1.9577e-02 -6.0000e+00 3.9030e-01 5.6141e-02 4.8681e-03 6.5078e-03 -6.0000e+00 1.6294e-01 5.4566e-04 -9.5383e-05 1.1232e-04 7.3983e-05 -6.0000e+00 1.1603e-02 8.9128e-03 9.4275e-05 11 8 0 10 0 0 46.78 22.72 0.29 0.00891 0.00820 100 20 1 5 0 493.660 25.90 20.01 22.72 32.04 21.2 1047.63 -136382 -147109 -152115 -161681 -147083 -152172 -107639 -147057 -89569 -133042 -67460 -89502 -37792 -57402 -51164 3878 -47841 22116 -56416 -4941 -33308 -42439 -23781 -14967 -15068 -21268 -10589 -23164 -16989 -31787 -1882 -7018 4256 -3267 -20709 1446 -9669 -8498 -8003 -517 -1775 9491 1313 2699 5383 3314 6188 6916 6386 5589 7605 6950 6785 5701 4512 2195 2352 1934 185 4185 1725 2092 4355 3589 3116 717 2328 258 2135 1300 1768 1429 2352 -338 -785 255 -5335 -1884 -3219 -1339 -1213 -389 -1856 -1607 -467 -746 684 322 760 442 1354 731 176 -715 -615 264 82 268 -566 213 -639 -286 137 -121 -1505 -1636 -856 -502 158 -171 -149 120 216 113 -10 559 88 312 -314 -312 -229 360 218 384 393 243 1223 756 39 277 294 92 47 221 -235 -430 237 42 -481 -21 -182 -19 -1307 -1614 -1816 -1983 -1619 -1837 -917 -1898 -795 -1760 -551 -1112 -362 -856 -809 45 -957 267 -1456 -80 -720 -1027 -514 -319 -340 -535 -239 -576 -411 -1036 -55 -251 154 -129 -936 56 -477 -499 -571 -40 -139 772 111 230 457 295 551 638 627 607 909 923 988 906 759 392 425 345 33 724 328 446 1031 933 818 189 614 74 680 473 687 567 893 -123 -258 76 -1633 -595 -1199 -577 -604 -215 -1119 -1030 -318 -539 507 244 563 310 875 451 108 -478 -470 232 83 305 -671 242 -677 -274 125 -116 -1566 -1794 -996 -630 218 -243 -229 189 334 167 -16 830 136 466 -498 -502 -361 590 345 581 573 343 1718 1163 68 492 565 187 101 506 -575 -1092 609 110 -1229 -50 -416 -41 SS 20220804T111043.5Z 8251.465782 76 1 49.46 2 77.68 77.82 145.98 32.63 0.00 1 0.00 1 0 17 2.594e-01 5.721e-03 1.171e-01 2.876e-03 5.989541e-01 1.569836e-03 6.649332e-03 -6.000000e+00 1.538214e-01 232.18 -2.00 3.50 -2.00 321.04 0.00e+00 2.915799e-03 5.649060e-04 5.320319e-04 -6.000000e+00 6.047101e-03 290.25 -2.00 20.00 -2.00 320.73 0.00e+00 4.550 0.002 302.00 328.00 3 1.3420e+00 4.7136e-03 5.5909e-02 -6.0000e+00 3.8913e-01 4.9070e-02 6.2108e-03 3.2685e-02 -6.0000e+00 4.2159e-01 -7.2219e-02 6.9821e-03 1.7699e-02 -6.0000e+00 2.4693e-01 2.2597e-02 3.5411e-03 5.7365e-03 -6.0000e+00 1.0305e-01 7.6508e-04 -3.4979e-04 8.9340e-05 7.2082e-05 -6.0000e+00 7.3432e-03 9.7829e-03 2.8220e-05 10 0 0 10 0 0 98.50 22.73 0.28 0.00978 0.00715 120 25 1 5 0 412.100 25.90 20.01 22.73 32.83 21.1 1052.74 -63667 -84718 -81455 -122400 -17953 -103527 -81670 -52879 -109461 -46077 -103104 -42824 -49061 -50567 -34140 -20759 -24192 -20484 -28242 -20596 -9866 -31894 -8217 -19998 -5128 -3980 -652 -5927 -10141 -8282 -6323 -7208 -811 -4571 2262 -5903 50 -2540 -692 992 312 705 1964 -2567 3061 -69 116 1876 2313 5225 944 1707 263 4522 387 2595 1308 435 1350 291 985 -348 2687 2580 795 1014 1459 2145 1314 1507 -730 352 428 1078 844 512 -81 -1645 -792 -1893 -734 -2211 -1356 -1254 -836 -209 148 712 734 692 1049 642 -470 356 42 459 -70 251 -406 -210 160 -1 400 -618 -1352 -814 -778 -516 194 211 -220 13 198 95 -140 549 207 109 -222 -685 22 -109 38 94 518 31 1405 984 -25 305 -15 157 -129 171 -92 -360 342 -115 -111 -104 -102 -210 -411 -691 -665 -1404 -76 -977 -687 -415 -1535 -364 -1551 -426 -663 -877 -618 -381 -512 -460 -734 -520 -226 -935 -205 -607 -143 -115 -18 -168 -308 -283 -231 -308 -37 -216 96 -290 3 -167 -55 90 31 74 213 -298 343 -8 14 231 298 714 151 298 51 902 84 571 296 98 295 65 234 -94 734 765 239 297 466 664 464 601 -320 155 183 425 327 182 -28 -612 -337 -883 -389 -1330 -866 -853 -609 -160 117 572 579 515 722 420 -307 246 33 415 -73 291 -490 -243 171 -1 373 -613 -1443 -908 -926 -661 271 327 -367 22 329 150 -209 801 312 173 -375 -1183 36 -177 60 141 745 43 1934 1476 -42 567 -28 309 -266 375 -215 -875 842 -288 -272 -241 -226 -444 SS 20220804T112937.0Z 8251.478901 85 1 50.06 2 74.16 80.73 144.02 39.60 0.00 1 0.00 1 0 17 1.576e-01 1.161e-02 2.287e-01 1.052e-02 4.790734e-01 5.728952e-03 5.460276e-03 -6.000000e+00 9.446295e-02 232.18 -2.00 3.50 -2.00 320.41 0.00e+00 -1.838426e-03 1.730565e-03 3.074135e-04 -6.000000e+00 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