File name: Pandora69s1_NewBrunswickNJ_20230519_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T232254.8Z 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_20230519_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: 20230519 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 20230519T105049.0Z 8539.451956 75 1 48.55 2 77.95 74.20 75.78 75.00 0.00 1 0.00 1 0 17 4.904e-01 1.309e-02 2.897e-01 8.446e-03 6.708534e-01 4.703903e-03 7.372828e-03 -6.000000e+00 2.902792e-01 231.36 -2.00 3.50 -2.00 321.26 0.00e+00 3.521994e-03 1.771982e-03 6.555976e-04 -6.000000e+00 1.203817e-02 284.25 -2.00 20.00 -2.00 320.93 0.00e+00 4.645 0.002 302.00 328.00 3 2.9298e+00 1.4305e-02 5.9009e-02 -6.0000e+00 7.3396e-01 2.0811e-01 1.9271e-02 3.6503e-02 -6.0000e+00 7.9679e-01 -2.3142e-01 2.1763e-02 2.0005e-02 -6.0000e+00 4.6638e-01 9.0122e-02 1.0889e-02 6.5771e-03 -6.0000e+00 1.9454e-01 1.2396e-04 -5.9317e-04 2.5998e-04 8.3335e-05 -6.0000e+00 1.3954e-02 1.5342e-02 5.2463e-05 12 8 8 10 0 0 79.64 22.76 0.56 0.01534 0.01088 18 4 1 5 0 2696.830 25.90 19.98 22.76 17.75 25.2 1011.10 -89330 -127603 -120547 869 -239906 270635 -147542 -107263 -118799 900000 -105922 -117760 -125090 -82475 73214 -35632 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284 671 1259 -1036 -722 8 -618 -236 -267 262 -1618 -1669 -1056 -1951 -574 -2862 -301 934 1337 428 47 -60 -283 -834 -163 2090 -1340 171 -127 -276 142 -616 -303 -1904 280 -1802 956 -454 715 -412 148 -332 -588 -499 344 2239 -567 -436 -1453 908 42 516 1230 1548 1638 735 911 -1076 719 448 -345 986 594 -1115 -372 1922 -1195 65 -71 -1253 -945 SS 20230519T105618.5Z 8539.455770 78 1 50.84 2 76.94 75.03 74.79 75.78 0.00 1 0.00 1 0 25 3.769e-01 9.449e-03 2.639e-01 7.034e-03 6.295964e-01 3.851843e-03 6.981119e-03 -6.000000e+00 2.225136e-01 231.36 -2.00 3.50 -2.00 321.06 0.00e+00 3.597125e-03 1.382567e-03 5.526066e-04 -6.000000e+00 8.789681e-03 284.25 -2.00 20.00 -2.00 320.73 0.00e+00 4.311 0.001 302.00 328.00 3 3.0626e+00 1.1472e-02 5.4911e-02 -6.0000e+00 5.6173e-01 1.4691e-01 1.5088e-02 3.4041e-02 -6.0000e+00 6.0928e-01 -1.3714e-01 1.6843e-02 1.8490e-02 -6.0000e+00 3.5709e-01 4.8357e-02 8.5541e-03 6.0034e-03 -6.0000e+00 1.4906e-01 1.5660e-04 -7.4693e-04 2.1544e-04 7.3955e-05 -6.0000e+00 1.0669e-02 1.7143e-02 -8.2981e-05 12 9 8 11 8 0 99.91 22.76 0.55 0.01714 0.01153 22 5 1 5 0 2310.500 25.90 20.00 22.76 18.32 25.2 1015.71 247991 -142215 -108860 -40378 -98817 -87922 -44999 -142524 -50849 -157409 -64780 -33656 -17947 -54860 14973 -41654 -1370 -17318 -19319 -17122 -70031 74644 -31558 23740 -40485 -16782 -13458 10845 -37949 12802 4937 -11044 10926 -9214 -21243 1245 2737 -12077 -15930 7046 140 7977 267 -2607 4094 -766 14128 -5167 3576 5442 1197 1983 6105 2862 5793 6727 -583 2565 -3094 -12 -2662 4240 721 1818 3518 2704 4435 402 2887 378 4746 1477 -198 1037 -223 -450 -5955 1097 -1910 1403 1111 -791 -1708 70 442 -1551 177 305 1131 1260 499 -386 -530 260 -115 -358 -664 -392 -232 -659 -679 -647 88 -39 -2567 -1601 -466 -743 30 -295 392 -258 637 33 -542 130 451 34 -631 72 245 1123 386 633 774 151 1374 501 287 -331 271 176 632 77 -360 -123 351 -206 -259 -372 -277 -207 1701 -2118 -1209 -277 -884 -741 -309 -2483 -408 -3662 -677 -317 -185 -1011 173 -948 -24 -380 -460 -415 -2811 780 -968 462 -1524 -526 -407 253 -1453 350 172 -517 462 -472 -1179 59 147 -893 -1472 602 14 775 29 -296 447 -89 1471 -672 451 736 188 339 1091 566 1159 1378 -129 542 -677 -3 -632 1053 209 562 1068 810 1327 133 1052 158 2031 660 -87 418 -82 -153 -2083 383 -793 659 600 -482 -1120 48 323 -1214 142 246 890 934 348 -259 -353 185 -93 -333 -707 -460 -279 -765 -733 -637 83 -39 -2770 -1795 -550 -945 41 -450 635 -428 1025 51 -805 189 672 53 -1046 120 399 1759 590 925 1092 208 1877 748 476 -603 525 358 1341 173 -857 -300 869 -518 -635 -870 -619 -445 SS 20230519T110139.7Z 8539.459488 81 1 48.68 2 75.96 75.83 73.82 76.53 0.00 1 0.00 1 0 25 2.879e-01 9.575e-03 2.145e-01 6.741e-03 5.983066e-01 3.687637e-03 6.744227e-03 -6.000000e+00 1.698690e-01 231.36 -2.00 3.50 -2.00 320.89 0.00e+00 2.909699e-03 1.277482e-03 4.763779e-04 -6.000000e+00 7.214048e-03 284.25 -2.00 20.00 -2.00 320.57 0.00e+00 4.028 0.001 302.00 328.00 3 3.2503e+00 1.0876e-02 5.1671e-02 -6.0000e+00 4.2899e-01 1.2656e-01 1.3923e-02 3.2260e-02 -6.0000e+00 4.6549e-01 -9.4847e-02 1.5106e-02 1.7247e-02 -6.0000e+00 2.7268e-01 2.7711e-02 7.7418e-03 5.4951e-03 -6.0000e+00 1.1407e-01 1.7537e-04 -1.4323e-03 2.0876e-04 6.8288e-05 -6.0000e+00 8.2098e-03 1.8848e-02 -2.2271e-04 12 8 8 10 0 0 99.89 22.76 0.46 0.01885 0.00808 20 4 1 5 0 2432.930 25.90 19.98 22.76 18.80 25.2 1018.76 -11403 -109148 -89226 -55296 -140404 62381 -87326 -25941 -141103 900000 -118216 900000 -71830 -57068 -36955 -60322 -18417 -31729 -29361 21196 -737 -19773 -37506 1561 22759 -28946 23159 4571 -2779 5624 -10109 -13786 -7762 14896 -5417 -16733 14305 595 1367 9589 1481 2633 8618 1952 3482 6320 -2007 6917 1310 5900 906 2514 -355 2250 261 1199 4078 -791 4345 -399 308 -764 1990 261 3935 3130 3239 3290 -543 3436 262 265 422 149 3030 80 1611 -547 -960 -3181 -1062 -2772 -339 -1522 -1135 -400 -682 868 -548 -17 509 1330 592 965 561 -396 128 -150 521 -825 191 438 -458 -1612 -3046 219 -837 -252 436 -56 302 577 -579 -15 -61 -595 592 -784 857 -43 519 -157 -18 -42 1300 -360 1001 866 -448 966 613 610 -482 202 -472 -476 661 -147 -439 -444 419 -427 -75 -1452 -1004 -419 -2274 410 -995 -185 -3293 900000 -2520 900000 -1494 -1285 -832 -1929 -439 -934 -898 419 -18 -593 -1431 44 558 -1200 584 133 -89 191 -465 -755 -445 689 -294 -1076 786 44 122 910 165 306 981 241 432 778 -274 895 188 882 158 472 -74 492 61 285 953 -190 976 -95 78 -219 623 89 1289 1007 1054 1132 -219 1496 125 128 197 65 1163 29 559 -206 -418 -1644 -614 -1802 -229 -1106 -880 -324 -574 729 -457 -13 370 911 404 702 462 -376 137 -178 630 -972 207 434 -442 -1655 -3367 246 -1008 -323 607 -86 490 950 -940 -24 -90 -864 874 -1230 1389 -72 838 -248 -28 -61 1816 -494 1362 1274 -736 1707 1159 1208 -1005 444 -1096 -1137 1590 -358 -1051 -1016 908 -899 SS 20230519T113203.8Z 8539.480600 97 1 18.44 2 70.30 80.40 68.27 80.83 0.00 1 0.00 1 0 25 5.686e-02 5.709e-03 2.046e-02 1.843e-03 4.458233e-01 9.617444e-04 5.190517e-03 -6.000000e+00 3.357815e-02 231.36 -2.00 3.50 -2.00 319.24 0.00e+00 1.443319e-03 2.145798e-04 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