File name: Pandora69s1_NewBrunswickNJ_20211111_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T192642.5Z 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_20211111_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: 20211111 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 20211111T122558.0Z 7985.518032 63 1 49.79 2 82.96 120.33 153.96 45.05 0.00 1 0.00 1 0 25 5.174e-01 2.569e-02 3.820e-01 1.628e-02 8.177474e-01 9.396129e-03 8.834222e-03 -6.000000e+00 3.075348e-01 223.68 -2.00 3.50 -2.00 321.88 0.00e+00 1.587116e-03 4.041311e-03 1.113774e-03 -6.000000e+00 1.390309e-02 281.29 -2.00 20.00 -2.00 321.55 0.00e+00 7.489 0.008 302.00 328.00 3 8.2180e-01 3.0338e-02 8.6268e-02 -6.0000e+00 7.6536e-01 7.0941e-01 4.3048e-02 4.4578e-02 -6.0000e+00 8.3842e-01 -7.5563e-01 4.8822e-02 2.5699e-02 -6.0000e+00 4.8730e-01 2.7570e-01 2.3941e-02 9.0175e-03 -6.0000e+00 2.0759e-01 5.7897e-05 -3.7261e-04 5.0392e-04 1.2470e-04 -6.0000e+00 1.5255e-02 6.4005e-03 1.9234e-05 12 8 8 10 0 0 83.92 22.80 0.65 0.00640 0.00360 27 6 1 5 0 1843.670 25.90 20.00 22.80 10.75 13.6 908.05 -191483 900000 900000 -153968 900000 900000 900000 -192554 900000 -63715 -103609 900000 149453 103870 -135776 900000 900000 -103989 -10374 51011 -49716 -72151 3861 900000 135498 28096 -98358 900000 -75610 -102888 -74827 224544 85565 -8656 -33951 123783 26252 28320 8499 -26614 13749 8307 26549 -982 23894 34137 25541 528 -11010 68361 7834 4301 48370 36178 9930 1617 -7252 504 16644 36628 -332 20652 20247 6531 37374 26693 9930 5159 21495 14272 28119 17518 5069 -1319 15315 -8416 5722 8248 -2020 -2924 5440 -2112 1099 -2918 4775 -6597 1582 3026 2448 7148 4298 -4774 -8151 -4556 -2312 168 -14610 2689 -2575 -488 -1164 387 441 -4625 -2185 -3663 -279 -1514 188 97 1060 -595 1224 -81 745 641 -1265 800 1083 1608 68 1164 -1857 -416 459 -428 3416 3108 173 1002 535 997 439 36 -406 -996 151 -349 -23 -568 46 -585 -4137 900000 900000 -2439 900000 900000 900000 -4437 900000 -1009 -1641 900000 2368 1646 -5280 900000 900000 -4044 -164 808 -1146 -2078 61 900000 2147 445 -4391 900000 -2613 -5483 -3664 3557 1356 -287 -1369 1961 681 857 379 -1955 733 491 1338 -65 1239 1622 1361 38 -951 2954 700 440 3483 3178 1187 217 -1065 66 1774 3165 -44 2498 2828 1157 4952 3921 1788 1048 4210 3391 6196 4314 1343 -340 2978 -1891 1104 1699 -547 -956 1912 -906 492 -1446 2338 -3800 866 1647 1311 3439 1987 -2331 -4202 -2507 -1452 121 -13115 2506 -2417 -472 -1042 306 327 -3750 -1841 -3302 -262 -1585 218 118 1414 -843 1701 -110 1055 899 -1865 1216 1713 2537 105 1703 -2706 -575 609 -559 4364 4444 294 1906 1033 2059 971 86 -1035 -2635 401 -939 -61 -1390 105 -1385 SS 20211111T123759.0Z 7985.526377 66 1 49.16 2 81.01 122.45 152.33 49.78 0.00 1 0.00 1 0 25 4.338e-01 9.298e-03 2.215e-01 5.028e-03 6.905000e-01 2.742793e-03 7.584585e-03 -6.000000e+00 2.494078e-01 223.68 -2.00 3.50 -2.00 321.48 0.00e+00 3.135527e-03 1.120965e-03 8.120083e-04 -6.000000e+00 1.026056e-02 281.29 -2.00 20.00 -2.00 321.17 0.00e+00 6.061 0.004 302.00 328.00 3 6.4920e-01 8.5632e-03 7.0314e-02 -6.0000e+00 6.1862e-01 2.1012e-01 1.2362e-02 3.7406e-02 -6.0000e+00 6.7416e-01 -2.4420e-01 1.4746e-02 2.1653e-02 -6.0000e+00 3.9773e-01 9.1413e-02 7.2695e-03 7.5656e-03 -6.0000e+00 1.6995e-01 3.3678e-04 -1.4037e-04 1.5454e-04 9.9037e-05 -6.0000e+00 1.2324e-02 5.1863e-03 8.0052e-05 11 8 0 10 0 0 31.67 22.81 0.38 0.00519 0.00413 85 17 1 5 0 578.260 25.90 20.00 22.81 11.82 13.6 915.34 -112229 -169479 900000 -125143 -191046 -145052 -212463 -37510 -75503 -61202 -160165 -124343 -142861 -62319 6078 -44294 -5028 -51841 -27990 -6526 -6269 -16620 -19810 28518 -18139 -39464 -43232 -17228 -4242 -13033 -43710 -9064 -11080 1978 -6116 -30641 3805 -16715 6687 -6437 16612 1101 14647 3011 10264 3774 6428 11295 8704 12550 3077 8849 2351 2285 9145 -399 5393 -434 -569 -447 5480 2432 8139 4418 3861 3931 -2029 3908 1274 3159 1343 2730 642 1485 -1555 -964 -927 -3067 -1828 -2174 -409 -1535 -508 -848 -696 269 -264 1799 1147 931 849 71 -851 71 -634 504 610 -575 -164 -674 -202 -852 258 -1130 -2449 -1662 -1758 -570 -574 501 200 8 254 124 -123 -90 513 -132 -547 -426 384 710 388 553 798 469 1086 896 -7 294 -15 194 117 204 18 -396 352 -406 42 -300 -151 -302 -650 -1964 900000 -892 -2469 -1228 -3882 -184 -481 -360 -2498 -1662 -2992 -750 51 -651 -56 -1016 -461 -90 -87 -259 -344 363 -356 -1002 -1137 -338 -76 -296 -1636 -283 -400 63 -204 -1379 139 -901 349 -448 1007 83 1005 236 764 308 527 926 780 1191 332 998 310 327 1281 -64 824 -69 -88 -69 857 442 1599 991 882 885 -497 961 365 1006 467 951 220 466 -454 -255 -240 -873 -602 -852 -183 -782 -276 -492 -432 175 -179 1212 765 587 499 40 -487 44 -452 414 581 -623 -184 -733 -202 -774 220 -1021 -2394 -1698 -1928 -673 -754 731 320 14 413 194 -183 -132 770 -210 -919 -723 629 1119 592 809 1124 643 1491 1353 -12 564 -29 398 255 473 44 -1016 915 -1074 107 -729 -346 -660 SS 20211111T125039.3Z 7985.535177 71 1 48.72 2 79.00 124.74 150.50 54.29 0.00 1 0.00 1 0 25 2.853e-01 6.092e-03 7.200e-02 2.095e-03 5.939341e-01 1.118962e-03 6.703450e-03 -6.000000e+00 1.640158e-01 223.68 -2.00 3.50 -2.00 320.99 0.00e+00 2.635446e-03 4.111770e-04 5.390260e-04 -6.000000e+00 6.650992e-03 281.29 -2.00 20.00 -2.00 320.67 0.00e+00 5.053 0.002 302.00 328.00 3 3.4548e-01 3.3208e-03 5.8892e-02 -6.0000e+00 4.0681e-01 8.0417e-02 4.3983e-03 3.1446e-02 -6.0000e+00 4.4335e-01 -7.5053e-02 4.9710e-03 1.7519e-02 -6.0000e+00 2.6136e-01 2.0969e-02 2.5292e-03 5.8883e-03 -6.0000e+00 1.1115e-01 1.3214e-03 -2.1174e-04 6.4565e-05 7.2687e-05 -6.0000e+00 8.0570e-03 5.2724e-03 5.4722e-05 10 0 0 10 0 0 80.32 22.82 0.29 0.00527 0.00368 214 44 1 5 0 227.590 25.90 20.01 22.82 13.39 13.7 926.78 -123897 -59738 -110304 -102891 -85076 -94473 -45777 -119927 -62886 -110159 -51580 -85777 -41439 -43775 -24052 -23730 -33993 -4644 -14680 -11118 -29176 -7954 -8052 -8759 -21793 -9321 -10109 -21894 -4623 -23741 4293 -5539 -2204 -9009 -2698 -3828 -2833 -968 -4259 3847 -2012 3417 1663 4097 2602 1398 3278 354 3574 1402 3990 1932 2482 2475 2015 3207 -329 1007 -814 2357 1221 3038 1443 2895 2686 1827 1270 398 1475 434 1710 183 610 43 -912 -404 -1935 -826 -2092 -581 -1620 -1600 -1957 -1098 -886 -151 435 494 753 590 865 -120 232 115 251 314 795 242 -551 -46 -345 -330 115 -564 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