File name: Pandora69s1_NewBrunswickNJ_20220205_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T193920.2Z 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 v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20220205_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: 20220205 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 20220205T124817.6Z 8071.533537 62 1 49.68 2 82.97 117.80 111.66 69.00 0.00 1 0.00 1 0 25 5.437e-01 2.378e-02 3.835e-01 1.527e-02 1.040846e+00 9.322740e-03 1.091390e-02 -6.000000e+00 3.186681e-01 224.55 -2.00 3.50 -2.00 322.33 0.00e+00 4.566494e-03 4.189785e-03 1.689431e-03 -6.000000e+00 1.474810e-02 275.54 -2.00 20.00 -2.00 321.98 0.00e+00 7.511 0.008 302.00 328.00 3 2.7126e-01 3.0981e-02 9.3139e-02 -6.0000e+00 7.9389e-01 1.2956e+00 4.3156e-02 5.5878e-02 -6.0000e+00 8.6878e-01 -1.5073e+00 4.7008e-02 3.2844e-02 -6.0000e+00 5.0975e-01 5.7106e-01 2.3399e-02 1.2018e-02 -6.0000e+00 2.1922e-01 6.9141e-05 -3.4074e-04 4.4224e-04 1.7853e-04 -6.0000e+00 1.6210e-02 7.8440e-03 7.5053e-05 12 8 8 10 0 0 71.26 22.68 0.51 0.00784 0.00528 41 8 1 5 0 1211.510 25.90 20.00 22.68 1.09 14.2 896.76 900000 -27759 900000 900000 -95038 -67711 -130033 -127455 -124697 900000 -187323 900000 -116067 900000 -61427 -75298 -38981 -54170 -28776 -68078 56773 -69121 23643 -42941 900000 -23643 3441 23095 -82717 900000 120113 900000 -31947 900000 -39928 -62236 -26953 41068 357476 6511 128413 3982 132333 49373 9156 10238 1964 75422 11790 64197 12089 28888 48991 26162 44257 26723 34277 6975 15303 17029 46739 31473 46970 15046 61929 24989 22506 21693 11218 28276 6125 25299 -1614 20482 2570 -8313 -6589 9325 5121 -5397 10052 9278 3255 371 2606 -2590 2883 3216 376 5962 718 1930 -2980 1231 -5349 1465 -7172 -178 -1956 163 -3197 -4100 -576 -3609 -417 -8085 -1931 -2859 -3698 1079 -749 294 -872 625 -1359 -796 -432 -1162 448 -1789 4697 26 5869 1588 3050 1317 748 681 -155 679 224 795 161 1182 -220 -211 279 -411 -122 -5 48 -2487 900000 -413 900000 900000 -1413 -1006 -2416 -2368 -2317 900000 -6426 900000 -3451 900000 -1674 -2705 -1062 -1812 -749 -2530 844 -2312 351 -1170 900000 -527 55 343 -3074 900000 1785 900000 -1425 900000 -1731 -3392 -1135 1017 5314 306 1909 212 1967 1651 454 507 109 2149 686 2465 884 1968 2974 2139 3125 2284 2675 674 1270 1350 2895 2573 3840 1755 5063 3003 2927 2852 1860 4429 1261 4252 -330 2998 394 -1293 -1017 1502 966 -1376 2598 2758 1109 138 998 -1087 1170 1302 152 2141 254 662 -1128 510 -2832 871 -5535 -146 -1724 135 -2511 -2855 -356 -2356 -279 -6157 -1502 -2513 -3797 1235 -989 410 -1250 868 -1869 -1084 -607 -1723 675 -2714 6317 35 7094 1930 3558 1534 905 945 -257 1289 479 1847 404 3170 -591 -581 774 -1146 -349 -12 115 -5783 SS 20220205T125926.5Z 8071.541279 65 1 49.67 2 81.11 119.75 109.70 70.98 0.00 1 0.00 1 0 17 6.315e-01 1.527e-02 2.671e-01 4.060e-03 9.086270e-01 2.290080e-03 9.641948e-03 -6.000000e+00 3.641726e-01 224.55 -2.00 3.50 -2.00 321.99 0.00e+00 7.019748e-03 1.014388e-03 1.312895e-03 -6.000000e+00 1.472088e-02 275.54 -2.00 20.00 -2.00 321.67 0.00e+00 6.129 0.004 302.00 328.00 3 -1.2534e-01 7.4686e-03 7.7804e-02 -6.0000e+00 9.0499e-01 5.3440e-01 1.1907e-02 4.9784e-02 -6.0000e+00 9.8579e-01 -6.7782e-01 1.4391e-02 2.9965e-02 -6.0000e+00 5.8077e-01 2.7136e-01 6.8339e-03 1.0835e-02 -6.0000e+00 2.4645e-01 5.0413e-04 -5.3875e-04 1.1558e-04 1.3587e-04 -6.0000e+00 1.7839e-02 7.8410e-03 8.3743e-05 12 8 8 10 0 0 38.43 22.68 0.34 0.00784 0.00379 167 34 1 5 0 297.330 25.90 20.00 22.68 1.61 14.2 900.92 -13572 -229366 -186753 -147379 -275944 -108833 -274156 -60756 -266553 7409 -220466 -102749 -131335 -84362 -22496 -108665 77679 -71098 92946 -96795 41174 -97924 -19684 -56110 -83592 -17859 -92745 30943 -98114 39707 -35564 20009 -7936 -25263 14072 -29303 22140 -17246 80988 -10702 39244 10897 33674 18178 4280 29175 3654 32715 7907 34948 17955 39301 27246 18247 18148 11669 20432 2652 10835 2155 16996 9689 18787 12349 9944 18529 5339 11384 5781 13462 3685 9110 4981 4043 6314 -2215 1712 -3455 4489 -1932 3732 -1635 -1031 465 -1224 940 -1492 2408 -230 1757 -1129 -806 -3146 -2213 -1908 -1934 -666 -1293 -140 -867 -393 -1205 -450 -780 -3109 -1684 -2659 -357 -1074 -240 -944 -160 -248 -464 617 29 698 -400 441 -335 1320 1010 1038 993 820 838 756 1591 -164 1037 -125 434 231 119 -321 -369 593 -384 77 -545 -47 -911 -54 -3219 -1748 -934 -5264 -431 -5427 -241 -5660 29 -3412 -692 -1465 -868 -160 -1995 308 -1126 368 -2125 245 -2115 -226 -889 -1805 -226 -2236 233 -2613 362 -794 341 -186 -709 279 -844 473 -590 1379 -481 1172 459 1176 752 208 1145 195 1401 472 1786 1241 2447 2108 1675 1744 1128 1978 271 1068 231 1682 1080 2237 1764 1506 2604 898 1953 1196 2918 938 2206 1190 886 1202 -420 313 -741 1072 -596 1282 -675 -457 215 -614 484 -811 1270 -122 860 -532 -367 -1513 -1180 -1199 -1449 -582 -1296 -145 -877 -362 -993 -342 -613 -2650 -1490 -2565 -373 -1288 -329 -1340 -238 -371 -675 926 43 1070 -601 681 -519 2079 1519 1503 1382 1107 1105 1020 2395 -292 1922 -260 970 551 304 -879 -1038 1676 -1098 211 -1400 -112 -2049 SS 20220205T131230.2Z 8071.550349 70 1 49.57 2 78.98 122.09 107.38 73.23 0.00 1 0.00 1 0 25 6.025e-01 8.160e-03 6.879e-02 1.633e-03 7.858074e-01 8.937127e-04 8.586223e-03 -6.000000e+00 3.472388e-01 224.55 -2.00 3.50 -2.00 321.52 0.00e+00 4.183646e-03 3.641407e-04 8.996895e-04 -6.000000e+00 1.404282e-02 275.54 -2.00 20.00 -2.00 321.20 0.00e+00 5.046 0.002 302.00 328.00 3 -2.5272e-01 2.7360e-03 6.4999e-02 -6.0000e+00 8.6288e-01 1.9978e-01 4.1293e-03 4.2410e-02 -6.0000e+00 9.4011e-01 -2.2050e-01 5.0686e-03 2.4895e-02 -6.0000e+00 5.5388e-01 8.1378e-02 2.4772e-03 8.7076e-03 -6.0000e+00 2.3491e-01 1.8772e-03 -7.4192e-04 4.6971e-05 1.0355e-04 -6.0000e+00 1.7021e-02 8.8453e-03 -3.5884e-05 11 8 0 10 0 0 99.50 22.68 0.28 0.00885 0.00327 311 64 1 5 0 159.360 25.90 20.00 22.68 2.66 14.3 908.75 -219879 -172300 -217785 -172221 -223591 -194826 -190754 -189488 -169685 -179036 -149855 -151796 -114672 -113456 -70917 -77798 -69814 -32796 -51624 -24203 -63448 -42666 -58793 -23021 -50087 -48233 -40873 -33431 -30924 -35279 -25652 -22589 -1963 -9401 -5471 -5164 -13186 -4693 -2226 2737 -1702 5504 1599 8797 4226 4882 5964 3584 5933 5142 9622 5748 9931 5355 5604 5409 4576 3884 1669 4897 3527 5261 3799 4586 2993 4176 2041 2081 3158 1663 1766 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