File name: Pandora69s1_NewBrunswickNJ_20211124_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T193241.4Z 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_20211124_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: 20211124 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 20211124T123004.2Z 7998.520882 287 1 49.81 2 84.97 122.71 49.07 268.89 0.00 1 0.00 1 0 25 6.123e-01 4.508e-02 5.235e-01 4.288e-02 1.010058e+00 2.597916e-02 1.065210e-02 -6.000000e+00 3.617361e-01 223.20 -2.00 3.50 -2.00 322.32 0.00e+00 -2.495934e-02 9.900550e-03 1.264291e-03 -6.000000e+00 1.599684e-02 279.82 -2.00 20.00 -2.00 321.94 0.00e+00 9.789 0.017 302.00 328.00 3 -6.3489e-01 8.4563e-02 1.1119e-01 -6.0000e+00 9.0052e-01 1.7929e+00 1.0132e-01 5.1860e-02 -6.0000e+00 9.8681e-01 -1.9744e+00 8.1942e-02 2.9010e-02 -6.0000e+00 5.7682e-01 6.7588e-01 4.5277e-02 1.0382e-02 -6.0000e+00 2.4390e-01 2.1434e-05 1.8374e-03 1.2755e-03 1.4332e-04 -6.0000e+00 1.8040e-02 5.6507e-03 1.4841e-04 12 8 8 10 0 0 -31.48 22.83 1.33 0.00565 0.01946 29 6 1 5 0 1717.090 26.00 20.00 22.83 4.66 13.2 873.53 900000 -54304 -4590 -52757 190265 126229 900000 64790 -96081 900000 -51852 900000 -29186 190813 900000 50082 900000 37431 32338 186460 109364 -45581 153405 -54773 900000 105513 804 57195 900000 16501 27524 10819 111851 900000 -46370 -3866 24126 154106 14109 -33054 8039 43777 36951 -27669 43027 30075 20994 300138 126449 75649 147724 72237 45484 59167 23545 145261 75477 68116 32575 -25760 20620 69861 64774 -48318 34973 -39202 37141 93846 40438 81283 -3814 39410 16308 20334 -13522 -6242 20501 -34361 -10729 18060 11620 -20781 2131 -7640 12802 -5142 6852 981 -911 16725 -12765 -895 -3852 4120 74 1511 -5638 3697 -2443 -9387 -861 -9618 10897 -2235 8598 -3783 -1094 -2360 3628 5337 -1899 4512 -4314 -857 94 3485 -3816 699 -288 4461 2098 268 7736 611 -2141 -2615 -6619 1456 -212 119 -1419 872 -64 -81 -99 548 1729 -935 -1271 574 1233 -1469 900000 -3915 -192 -2602 7940 5268 900000 2704 -10207 900000 -3738 900000 -1882 7963 900000 2090 900000 1562 1350 7782 4564 -3286 6402 -5819 900000 4403 46 2387 900000 689 1149 534 4668 900000 -3694 -205 1098 6431 1071 -4640 793 2990 2523 -3254 2514 1883 1402 12526 5277 3473 6165 4221 3796 4692 2850 6062 5670 5117 3127 -3714 2065 4665 5136 -11732 4087 -8775 4495 7050 5907 8820 -926 6743 3267 3479 -2822 -1094 2738 -8748 -2552 3844 3104 -7963 704 -2957 4702 -2127 2802 383 -384 5514 -5327 -329 -1543 1737 35 825 -3872 2609 -1900 -7515 -578 -6277 6003 -1465 5382 -2583 -792 -1943 3263 5507 -2378 5649 -6006 -1134 119 4284 -5226 960 -414 6025 2762 343 8893 730 -2567 -3095 -8463 1972 -345 222 -3010 1975 -159 -218 -285 1619 5130 -2853 -3734 1535 3036 -3510 SS 20211124T124242.2Z 7998.529655 290 1 49.36 2 82.98 124.90 51.42 270.86 0.00 1 0.00 1 0 17 6.042e-01 1.640e-02 3.189e-01 7.887e-03 9.026179e-01 4.570974e-03 9.627518e-03 -6.000000e+00 3.467789e-01 223.20 -2.00 3.50 -2.00 322.22 0.00e+00 9.245870e-03 2.082564e-03 1.433673e-03 -6.000000e+00 1.408678e-02 279.82 -2.00 20.00 -2.00 321.88 0.00e+00 7.513 0.008 302.00 328.00 3 -5.5242e-01 1.5275e-02 8.9038e-02 -6.0000e+00 8.5922e-01 7.3679e-01 2.2757e-02 4.9159e-02 -6.0000e+00 9.3666e-01 -9.5993e-01 2.6225e-02 2.8939e-02 -6.0000e+00 5.5235e-01 3.9301e-01 1.2573e-02 1.0534e-02 -6.0000e+00 2.3518e-01 2.1092e-04 -8.8749e-04 2.3463e-04 1.5357e-04 -6.0000e+00 1.7060e-02 4.9470e-03 9.5093e-05 12 8 8 10 0 0 -19.64 22.85 0.49 0.00495 -0.00172 113 23 1 5 0 436.700 26.00 20.00 22.85 5.51 13.2 879.24 -230986 -185664 -192868 -184575 -160214 -126074 -179393 -228025 -71977 -208620 -125071 -171389 -98221 -99858 76744 -54654 1957 17830 -21442 -51556 34067 -58702 -15426 206870 -44586 14525 -45505 -31279 -30140 42490 -53892 -12217 6453 -13132 69456 11849 33221 -4088 6722 39269 22491 4616 21832 24866 22923 33392 54639 17733 7973 19776 27364 36447 30136 22533 31611 29119 21952 12425 1251 24286 13898 6703 18463 9435 15908 15153 6798 15214 10727 12641 9293 8447 12554 7762 5483 -3714 4261 405 978 3155 1119 627 830 -9 -1750 555 -65 105 71 1430 -1121 -1891 -1676 -4523 -2078 -3048 1702 -1397 -1037 -1667 35 107 -2295 -2666 -2949 -3228 -1773 -2138 -1102 -1158 -944 -880 -503 -849 -94 -156 509 -102 516 256 1463 1573 1953 1620 1456 1332 1563 1039 444 226 703 413 185 -205 -307 17 702 -2 -490 -152 -378 -1353 -5975 -3375 -3775 -2968 -1792 -970 -2383 -5101 -554 -4084 -1250 -3115 -1167 -1606 590 -841 21 178 -330 -973 288 -1108 -214 1591 -857 156 -875 -505 -510 425 -1620 -319 159 -394 855 264 664 -138 221 1178 786 203 839 939 897 1335 1849 843 451 1106 1607 2166 2086 1812 2409 2321 1872 1121 121 1851 1253 740 2117 1332 2180 2108 1074 2382 1995 2607 2111 1943 2624 1547 993 -672 712 78 226 867 370 218 311 -4 -762 248 -30 49 33 669 -503 -829 -755 -2343 -1140 -2018 1274 -1235 -963 -1514 29 78 -1589 -1905 -2247 -2603 -1523 -2046 -1192 -1446 -1317 -1299 -746 -1233 -130 -215 721 -152 801 398 2154 2205 2632 2110 1844 1655 1977 1486 746 435 1496 953 459 -547 -873 49 2065 -5 -1417 -407 -944 -3212 SS 20211124T125412.9Z 7998.537649 293 1 48.55 2 81.21 126.95 53.57 272.59 0.00 1 0.00 1 0 25 6.098e-01 8.676e-03 1.389e-01 2.908e-03 7.776047e-01 1.601145e-03 8.392146e-03 -6.000000e+00 3.499647e-01 223.20 -2.00 3.50 -2.00 321.72 0.00e+00 5.581409e-03 6.866660e-04 1.012285e-03 -6.000000e+00 1.421671e-02 279.81 -2.00 20.00 -2.00 321.41 0.00e+00 6.185 0.004 302.00 328.00 3 -5.6135e-01 5.0761e-03 7.3831e-02 -6.0000e+00 8.6711e-01 2.4479e-01 7.8773e-03 4.2295e-02 -6.0000e+00 9.4529e-01 -2.8229e-01 9.6792e-03 2.5197e-02 -6.0000e+00 5.5745e-01 1.0950e-01 4.6608e-03 9.0124e-03 -6.0000e+00 2.3733e-01 8.9826e-04 -4.1750e-04 8.6181e-05 1.0845e-04 -6.0000e+00 1.7219e-02 5.2462e-03 7.7310e-05 11 8 0 10 0 0 -2.95 22.87 0.32 0.00525 0.00211 250 51 1 5 0 194.140 26.00 20.00 22.87 6.62 13.3 888.51 -224064 -194963 -200174 -193884 -234824 -131132 -207433 -199733 -197629 -142374 -148045 -167366 -44458 -135220 -103022 -105653 -63598 -43937 -24753 -43707 -63860 -44126 -42703 -49533 -48791 -21416 -35566 -48625 -39700 -17830 -12025 -17847 9769 -19740 -6970 -18572 -8686 -5006 1676 -393 -530 -498 2566 6325 212 10438 6346 5137 7878 8873 6958 5486 9353 6205 5994 3599 8662 4515 3941 4396 4587 4434 6206 7101 3958 5448 2384 3154 3199 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