File name: Pandora69s1_NewBrunswickNJ_20230722_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20230724T172614.3Z 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 v1.8.49 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20230722_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: 20230722 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 20230722T102836.7Z 8603.436536 64 1 49.57 2 83.43 68.89 125.98 37.75 0.00 1 0.00 1 0 17 5.311e-01 2.788e-02 4.241e-01 1.919e-02 9.022333e-01 1.176361e-02 9.536658e-03 -6.000000e+00 3.196466e-01 232.64 -2.00 3.50 -2.00 322.31 0.00e+00 -3.075149e-03 5.163843e-03 1.304068e-03 -6.000000e+00 1.353500e-02 289.95 -2.00 20.00 -2.00 321.95 0.00e+00 7.920 0.009 302.00 328.00 3 3.7787e-01 3.9668e-02 9.3854e-02 -6.0000e+00 8.1361e-01 1.1411e+00 5.1652e-02 5.0089e-02 -6.0000e+00 8.8359e-01 -1.5070e+00 5.1270e-02 2.8017e-02 -6.0000e+00 5.1531e-01 6.0140e-01 2.6133e-02 9.7394e-03 -6.0000e+00 2.1471e-01 5.3166e-05 -1.1373e-03 6.1628e-04 1.4347e-04 -6.0000e+00 1.5850e-02 1.4932e-02 7.3748e-05 12 9 8 11 8 0 86.71 22.85 0.74 0.01493 0.00639 31 6 1 5 0 1598.510 26.00 20.01 22.85 26.91 27.8 1026.48 57109 76916 900000 5109 -41154 196483 -124958 900000 -154770 900000 -68755 -60369 -57212 103611 15585 58463 900000 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4171 2345 3975 3046 4853 1220 2027 1764 2659 647 3621 4891 4305 3470 1615 3774 2498 4954 4032 5197 -88 916 3445 -1188 -1690 -838 2484 -2307 1305 1282 1935 2373 535 2622 -3131 4512 -915 -1786 -595 -599 -1131 -1095 2119 -3165 -671 -3648 -251 -3762 -1210 173 -1761 -1940 -4604 -2745 -2305 961 -4369 -909 -4125 395 -167 -569 1940 -4173 212 -2761 5265 -973 3624 589 3594 3496 5615 781 649 4645 -2354 3869 -352 1963 -856 1990 -698 -211 1215 -970 1466 -2047 -1369 -4383 SS 20230722T103909.2Z 8603.443857 67 1 20.10 2 81.55 70.51 124.79 40.48 0.00 1 0.00 1 0 17 5.385e-01 1.504e-02 3.610e-01 9.417e-03 7.976649e-01 5.355303e-03 8.531059e-03 -6.000000e+00 3.197255e-01 232.64 -2.00 3.50 -2.00 321.75 0.00e+00 8.160846e-03 2.199477e-03 9.552295e-04 -6.000000e+00 1.313619e-02 289.95 -2.00 20.00 -2.00 321.41 0.00e+00 6.397 0.005 302.00 328.00 3 7.8776e-01 1.6836e-02 7.7546e-02 -6.0000e+00 8.0958e-01 4.4065e-01 2.4473e-02 4.4309e-02 -6.0000e+00 8.7705e-01 -5.2532e-01 2.8526e-02 2.4925e-02 -6.0000e+00 5.1355e-01 2.0887e-01 1.3828e-02 8.4574e-03 -6.0000e+00 2.1431e-01 1.7216e-04 -7.1100e-04 2.8137e-04 1.1000e-04 -6.0000e+00 1.5301e-02 1.4242e-02 2.1897e-05 12 9 9 12 1 1 90.39 22.84 0.35 0.01424 0.00890 18 10 1 5 0 1048.170 26.00 20.00 22.84 27.75 27.6 1030.96 -207071 -267033 -157495 -150849 -129871 -234989 26904 -190887 -145960 -142027 900000 -130111 -42679 -84121 -11184 -63780 27292 -37059 -31111 -18495 34764 10697 15642 35385 -17348 -53374 -91422 -79009 -64158 -67031 -38369 23436 -3547 -29600 17563 10348 26087 -35800 8480 6855 8200 2588 25741 33990 6017 40206 17337 14299 11260 18876 7570 20058 21058 19651 9163 16417 23524 8879 13606 -2897 9809 13543 13880 18172 6184 6626 3052 5711 1933 5875 5307 2948 4281 -1543 1550 -1726 611 -2740 -38 -728 389 1699 -4493 -531 716 353 -1376 -893 748 858 -278 -1010 -1052 -2527 -100 -2876 -242 -1632 -266 397 -1055 468 15 -713 -2322 -1160 -2247 645 -848 -782 -877 -740 -56 8 140 813 56 -301 695 -297 1166 664 758 1330 5 1123 1291 885 623 374 221 749 180 -178 316 -562 636 -764 -144 -481 -46 -657 -3168 -7731 -1687 -1385 -1192 -4674 247 -2775 -1452 -1412 900000 -1593 -392 -1158 -103 -1073 251 -595 -500 -269 319 115 168 325 -279 -1266 -3147 -2357 -1767 -2308 -1233 484 -109 -1177 417 277 679 -1896 376 329 423 150 1236 1536 370 1968 1028 929 811 1400 711 1841 2097 2137 1152 1971 2641 1122 1595 -405 1302 1970 2323 3221 1258 1338 662 1299 483 1595 1545 885 1210 -424 398 -421 144 -737 -11 -255 157 763 -2310 -279 398 208 -853 -558 451 487 -149 -524 -555 -1495 -68 -2351 -226 -1747 -292 418 -1036 407 12 -618 -2178 -1133 -2388 731 -1026 -1072 -1322 -1157 -87 12 200 1141 82 -467 1117 -484 1808 992 1092 1827 8 1561 1823 1305 1056 715 464 1674 404 -427 806 -1492 1697 -2079 -377 -1187 -112 -1541 SS 20230722T105416.5Z 8603.454358 72 1 49.80 2 78.82 72.80 122.97 44.25 0.00 1 0.00 1 0 25 3.434e-01 6.117e-03 8.732e-02 2.002e-03 6.453935e-01 1.107817e-03 7.093914e-03 -6.000000e+00 2.037795e-01 232.63 -2.00 3.50 -2.00 321.21 0.00e+00 2.631284e-03 4.143723e-04 6.373209e-04 -6.000000e+00 8.006589e-03 289.95 -2.00 20.00 -2.00 320.88 0.00e+00 4.975 0.002 302.00 328.00 3 1.4733e-01 3.3587e-03 6.1017e-02 -6.0000e+00 5.1606e-01 8.2680e-02 4.5819e-03 3.5645e-02 -6.0000e+00 5.5912e-01 -7.4233e-02 5.3240e-03 1.9555e-02 -6.0000e+00 3.2736e-01 2.1201e-02 2.6611e-03 6.4096e-03 -6.0000e+00 1.3633e-01 1.5762e-03 -5.0438e-04 6.2103e-05 8.1661e-05 -6.0000e+00 9.7246e-03 1.5756e-02 -2.4878e-05 10 0 0 10 0 0 99.63 22.83 0.27 0.01576 0.01197 286 59 1 5 0 174.100 26.00 20.01 22.83 28.92 27.9 1039.63 -73403 -128229 -108050 -100592 -144458 -120756 -149241 -88925 -92186 -73471 -74418 -74542 -90069 -57869 -52558 -38303 -17199 -39863 1422 -42841 -4391 -30227 -21664 -20744 -21711 -10791 -29323 -12523 -33184 -11486 -10481 -5369 -3238 -4372 -16184 -13504 -5721 -3151 1529 -637 930 -1988 1435 1246 -402 1758 49 4507 2833 6788 1404 5244 3082 3022 3271 977 1730 71 2464 -202 4025 2684 3507 2330 962 1705 1139 1124 910 1847 611 685 244 303 -426 90 -1251 -1050 -358 -1857 -432 -1852 -1596 -1447 -772 -461 294 745 262 929 630 566 102 256 -218 -197 952 -68 -14 -328 10 -440 589 -944 -1598 -761 -1047 -572 122 47 -182 65 105 155 108 575 256 -63 -79 -714 194 298 324 95 460 -26 1019 1041 -76 459 -139 -80 -74 106 -129 -185 333 -202 -273 32 -142 -55 -330 -1126 -802 -648 -1382 -967 -1777 -660 -792 -559 -625 -771 -1279 -760 -812 -598 -244 -785 22 -981 -69 -638 -458 -471 -532 -249 -812 -284 -966 -314 -340 -194 -129 -178 -718 -626 -284 -185 96 -48 75 -176 128 114 -38 168 5 452 307 777 191 758 499 529 600 190 339 14 462 -40 811 617 908 662 277 479 328 346 320 727 261 296 102 118 -150 29 -399 -358 -141 -876 -232 -1128 -959 -926 -528 -332 218 558 193 641 439 376 68 183 -166 -173 955 -77 -17 -367 11 -414 526 -902 -1641 -815 -1202 -709 166 71 -298 108 171 241 159 831 384 -100 -132 -1215 318 472 497 139 647 -36 1389 1552 -129 854 -280 -171 -167 237 -306 -453 829 -510 -671 75 -313 -126 SS 20230722T105956.2Z 8603.458290 75 1 49.67 2 77.79 73.66 122.25 45.62 0.00 1 0.00 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