File name: Pandora69s1_NewBrunswickNJ_20230117_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T221709.7Z 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_20230117_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: 20230117 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 20230117T130302.4Z 8417.543778 200 1 49.42 2 83.49 124.44 62.49 183.48 0.00 1 0.00 1 0 25 6.371e-01 3.490e-02 4.261e-01 2.201e-02 9.459062e-01 1.297308e-02 1.016144e-02 -6.000000e+00 3.721558e-01 223.86 -2.00 3.50 -2.00 322.21 0.00e+00 5.199581e-03 5.461785e-03 1.304360e-03 -6.000000e+00 1.594164e-02 275.59 -2.00 20.00 -2.00 321.86 0.00e+00 8.006 0.009 302.00 328.00 3 4.3986e-01 4.2009e-02 9.3934e-02 -6.0000e+00 9.2792e-01 1.2757e+00 5.2956e-02 4.9492e-02 -6.0000e+00 1.0151e+00 -1.5787e+00 5.0053e-02 2.7678e-02 -6.0000e+00 5.9425e-01 6.3862e-01 2.6158e-02 9.8259e-03 -6.0000e+00 2.5006e-01 4.1966e-05 -1.7525e-03 6.3900e-04 1.4707e-04 -6.0000e+00 1.8273e-02 1.2404e-02 4.4478e-05 12 8 8 10 0 0 88.54 22.75 0.38 0.01240 -0.00077 28 6 1 5 0 1764.530 25.90 20.00 22.75 7.84 22.6 941.49 -36085 -85858 685 -74623 48778 37731 -117830 900000 -73515 900000 -121559 -99248 32948 -46308 113453 -37220 900000 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2299 4529 5040 1813 3727 2340 4104 4034 2641 2920 3214 4539 2759 4744 4277 5023 2979 4630 1240 6531 2364 1428 3883 -131 2542 -1115 2751 -4993 891 604 -41 -92 -513 -1789 -1548 4684 969 2426 -340 -84 -5424 -1617 -972 -3729 11189 -2662 -1421 -9457 406 -1871 -1547 -2139 583 2172 -4427 1123 -5378 -3310 -6940 -1299 -5449 1692 -3546 1859 993 -37 6213 -11 7807 634 2549 5798 -157 5674 1093 2455 -2950 838 -522 2166 2064 3279 875 -2175 2941 -2706 1470 -4414 1524 -6368 SS 20230117T131413.8Z 8417.551549 203 1 49.02 2 81.76 126.41 62.70 186.32 0.00 1 0.00 1 0 17 6.082e-01 1.268e-02 2.750e-01 6.317e-03 8.314826e-01 3.534207e-03 8.936021e-03 -6.000000e+00 3.495296e-01 223.86 -2.00 3.50 -2.00 321.85 0.00e+00 5.683179e-03 1.546996e-03 1.133903e-03 -6.000000e+00 1.434883e-02 275.59 -2.00 20.00 -2.00 321.52 0.00e+00 6.549 0.005 302.00 328.00 3 2.6396e-01 1.1390e-02 7.8552e-02 -6.0000e+00 8.6722e-01 4.7916e-01 1.7207e-02 4.5354e-02 -6.0000e+00 9.4545e-01 -5.5535e-01 2.0564e-02 2.6840e-02 -6.0000e+00 5.5770e-01 2.2202e-01 9.9118e-03 9.5995e-03 -6.0000e+00 2.3826e-01 2.5270e-04 -6.1218e-04 1.8717e-04 1.2347e-04 -6.0000e+00 1.7180e-02 1.2457e-02 1.1393e-05 12 8 8 10 0 0 97.79 22.76 0.36 0.01246 0.00786 88 18 1 5 0 556.920 25.90 19.99 22.76 8.59 22.5 945.68 -244536 900000 -228783 -197411 -205242 -188938 -171280 -222824 -142134 -219109 33076 -162848 -34032 -147611 178011 -53767 12205 -36332 -38684 84932 -17989 2485 -38963 9156 -38801 -52833 -56619 -45606 -4568 -25777 54960 -24664 21102 -8051 43698 -21011 14950 -2024 5500 13681 2719 27054 1515 2003 24764 10065 3512 17060 11768 6895 33691 12266 17146 4872 17821 13585 8566 10669 2067 5450 4286 14801 6486 8107 7777 9255 9897 1796 4590 4912 7018 4913 4149 2818 3066 -457 -636 11 -64 -977 -1478 -1493 -1503 -1063 -347 331 -1204 -919 -56 -992 -915 -1028 -2157 -1188 -824 -1028 459 -487 -824 -433 -594 1237 482 -1091 -2257 -909 -1684 -1010 -72 -540 -255 -701 -401 -430 -251 304 406 315 385 435 747 1001 362 934 697 543 1609 932 -98 588 -50 -222 237 3 -190 -22 506 -352 -86 -13 -302 -842 -4654 900000 -4227 -2431 -2528 -2010 -1630 -3867 -1194 -4171 204 -2461 -210 -3388 1096 -722 105 -508 -585 523 -222 28 -633 107 -695 -1124 -1236 -868 -61 -520 677 -732 449 -230 709 -682 385 -74 225 597 145 1196 90 120 1206 586 228 1031 810 510 2358 1083 1584 550 1847 1513 1007 1188 242 618 528 1868 1032 1410 1389 1634 1808 384 1088 1311 1952 1402 1133 712 689 -97 -136 3 -18 -332 -592 -676 -733 -549 -190 189 -720 -553 -33 -550 -474 -515 -1120 -679 -550 -813 420 -469 -829 -418 -570 1041 384 -917 -2041 -854 -1720 -1129 -83 -716 -372 -1075 -611 -633 -354 422 581 474 604 681 1118 1429 543 1338 970 738 2205 1441 -162 1097 -104 -493 557 8 -509 -60 1408 -992 -232 -33 -717 -1897 SS 20230117T133124.6Z 8417.563479 208 1 48.93 2 79.18 129.53 63.22 190.65 0.00 1 0.00 1 0 17 4.552e-01 9.670e-03 2.068e-01 5.565e-03 6.853430e-01 3.062493e-03 7.594787e-03 -6.000000e+00 2.634072e-01 223.86 -2.00 3.50 -2.00 321.35 0.00e+00 4.506173e-03 1.200920e-03 7.268380e-04 -6.000000e+00 1.131296e-02 275.59 -2.00 20.00 -2.00 321.03 0.00e+00 5.131 0.002 302.00 328.00 3 1.3908e+00 9.3304e-03 6.2248e-02 -6.0000e+00 6.5322e-01 1.7835e-01 1.2994e-02 3.6547e-02 -6.0000e+00 7.1281e-01 -1.5247e-01 1.5232e-02 2.0800e-02 -6.0000e+00 4.1870e-01 5.4450e-02 7.6047e-03 7.1364e-03 -6.0000e+00 1.7851e-01 3.7272e-04 -9.4338e-04 1.7081e-04 9.1501e-05 -6.0000e+00 1.2977e-02 1.3733e-02 -9.2348e-05 12 8 8 10 0 0 99.89 22.76 0.30 0.01373 0.00664 155 32 1 5 0 315.650 25.90 19.99 22.76 9.56 22.7 953.64 -160722 900000 -192264 215313 -206422 900000 -195126 -125599 -55700 -117011 900000 -128124 -35727 -120384 -44743 -4129 -14842 63599 19086 12858 -49353 -17642 -61223 9192 -40334 -4837 13464 14000 19443 -2692 27795 584 881 -21326 12533 -2819 11510 -10163 -6707 2586 328 12246 -14995 12579 109 11432 31 6361 3933 4578 15055 -1983 5551 3230 8792 -361 5230 2624 6895 3601 -255 8990 -308 4756 -9 2650 -1678 3605 1267 1976 5399 -1556 3766 -2102 1382 338 1205 -199 1758 231 -1431 -1523 -1657 -50 -3239 -187 -703 410 956 619 -40 -812 946 -1952 148 -698 944 -428 -367 78 -555 112 282 173 -1418 -750 -682 -1303 -105 -399 56 -262 147 -536 544 11 585 -168 238 -1 -171 1087 -116 435 673 329 1056 715 51 247 327 49 -26 -126 -2 -95 311 -266 -192 -66 -173 -348 -1721 900000 -3178 1168 -3466 900000 -3353 -1284 -326 -1277 900000 -2084 -320 -2949 -677 -51 -223 515 245 183 -1233 -336 -1853 159 -1140 -104 246 249 344 -68 634 20 33 -985 417 -113 461 -581 -446 180 26 905 -1473 988 10 949 3 599 404 510 1703 -288 819 526 1416 -65 911 458 1126 615 -49 1749 -74 1196 -2 676 -458 997 403 704 1985 -619 1363 -744 429 98 340 -61 619 97 -706 -835 -974 -31 -2180 -129 -503 294 673 411 -25 -490 563 -1299 109 -608 927 -472 -417 85 -564 103 246 158 -1402 -774 -753 -1559 -137 -582 89 -426 234 -820 789 16 860 -262 382 -2 -273 1647 -174 619 920 442 1418 1049 85 452 645 102 -56 -294 -6 -240 795 -690 -487 -158 -395 -756 SS 20230117T133709.6Z 8417.567472 211 1 48.93 2 78.34 130.61 63.45 192.08 0.00 1 0.00 1 0 17 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