File name: Pandora69s1_NewBrunswickNJ_20220121_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T193345.1Z 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_20220121_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: 20220121 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 20220121T144830.9Z 8056.617024 339 1 3.11 2 68.57 144.43 92.80 286.40 0.00 1 0.00 1 0 17 4.564e-02 7.644e-03 3.865e-02 5.632e-03 4.251676e-01 2.862921e-03 5.063609e-03 -6.000000e+00 2.626133e-02 224.01 -2.00 3.50 -2.00 318.43 0.00e+00 1.317115e-03 5.259704e-04 1.445907e-04 -6.000000e+00 1.063766e-03 275.58 -2.00 20.00 -2.00 318.14 0.00e+00 2.712 0.000 302.00 328.00 3 2.7164e+00 7.6287e-03 3.4522e-02 -6.0000e+00 6.5182e-02 6.2760e-02 8.6072e-03 2.1401e-02 -6.0000e+00 7.1032e-02 -2.7656e-02 6.1585e-03 1.0879e-02 -6.0000e+00 4.1865e-02 4.3952e-03 3.3109e-03 3.2428e-03 -6.0000e+00 1.7784e-02 1.3447e-03 4.0805e-04 1.6431e-04 3.6865e-05 -6.0000e+00 1.2891e-03 7.2841e-03 2.3074e-05 12 9 1 12 1 1 999.00 22.48 0.30 0.00728 0.01035 2 10 1 5 0 979.020 25.68 20.00 22.48 -1.73 13.7 862.68 -3866 -16443 -13013 -25521 -11023 -19196 -2738 -2096 -13173 -17618 -7151 -11245 -13014 -6366 -6675 975 -2531 -4951 7823 485 -2746 2218 -7519 -1711 1305 -1636 298 -490 2585 -2700 636 -2151 -180 -2706 1134 1474 -1297 103 -1016 -173 -110 -931 1154 1767 -97 1945 -1112 -1424 3281 106 2177 832 840 949 1300 -68 591 1852 -113 695 331 1674 2248 1035 -608 464 -1279 391 1156 145 1226 -135 228 -38 -884 -53 -1666 -5 -451 -857 -803 -1122 -1720 -2102 -618 -899 -324 490 1300 -279 118 72 655 1295 76 222 255 139 -257 -40 -372 -784 335 -444 -1143 -602 -1061 -598 -210 -110 71 348 -142 213 440 206 411 476 -959 559 4 -173 522 41 1216 -63 1956 742 940 305 750 -294 -176 425 -14 -486 -212 -646 -123 -5 -167 -756 -154 -797 -615 -1245 -441 -855 -115 -97 -742 -1072 -408 -755 -1052 -573 -699 105 -300 -638 941 64 -376 294 -1155 -264 206 -273 48 -76 385 -454 115 -441 -39 -597 232 315 -318 29 -337 -64 -43 -381 475 729 -41 810 -474 -612 1380 48 1037 425 453 534 747 -40 351 1075 -65 405 202 1087 1559 753 -439 320 -884 274 870 119 1044 -117 194 -31 -678 -38 -1154 -4 -343 -718 -732 -1090 -1746 -2221 -678 -1022 -377 573 1493 -311 125 73 643 1300 82 259 321 186 -348 -52 -469 -941 393 -542 -1462 -789 -1444 -842 -309 -170 112 552 -220 317 629 290 588 703 -1479 869 6 -264 779 60 1711 -87 2651 1052 1401 477 1210 -488 -298 740 -26 -895 -396 -1216 -229 -9 -296 -1312 SS 20220121T145253.7Z 8056.620066 342 1 2.68 2 68.09 145.41 93.58 287.09 0.00 1 0.00 1 0 17 5.726e-02 9.043e-03 5.024e-02 7.377e-03 4.197134e-01 3.745987e-03 5.002359e-03 -6.000000e+00 3.295936e-02 224.01 -2.00 3.50 -2.00 318.29 0.00e+00 8.112114e-04 6.617071e-04 1.366750e-04 -6.000000e+00 1.334926e-03 275.58 -2.00 20.00 -2.00 318.01 0.00e+00 2.657 0.000 302.00 328.00 3 2.8899e+00 9.9537e-03 3.3911e-02 -6.0000e+00 8.1809e-02 6.2881e-02 1.1213e-02 2.1096e-02 -6.0000e+00 8.9141e-02 -2.3192e-02 7.8921e-03 1.0702e-02 -6.0000e+00 5.2537e-02 3.8828e-03 4.2348e-03 3.1807e-03 -6.0000e+00 2.2323e-02 1.1982e-03 4.5518e-04 2.1428e-04 3.6259e-05 -6.0000e+00 1.6173e-03 7.0654e-03 9.5152e-05 12 9 1 12 1 1 999.00 22.48 0.14 0.00707 0.01049 1 8 1 5 0 1250.950 25.68 20.00 22.48 -1.66 13.7 863.40 16608 -16890 -38232 -14575 -18232 24228 -5611 18244 -4202 -803 -18790 9817 -6641 -637 5943 3698 6968 -4836 3277 -2823 -963 -1873 -376 2180 1605 1608 -2278 1551 -3022 1678 -6347 7012 571 -1208 1727 -1807 -3086 -3092 3142 -2684 754 -1405 -907 2350 1009 275 149 -227 -505 445 27 197 2085 165 2631 98 994 -317 -1038 142 -479 694 1896 508 -1309 649 -1200 1593 88 399 1003 105 164 805 109 -207 367 -1690 1888 -897 -1208 -2477 -1888 -860 -2316 -282 -197 82 539 757 815 1402 927 502 797 45 1358 476 -908 70 232 -745 954 665 -1014 -1151 -1100 -63 -528 211 -980 99 181 -827 804 774 538 -209 320 -569 -133 -727 53 164 1165 139 1236 1424 -475 728 94 -225 939 438 240 -1030 141 -694 -478 -125 194 -275 604 -903 -2505 -707 -858 796 -266 774 -241 -46 -1316 595 -552 -59 600 420 819 -671 442 -415 -140 -278 -58 351 272 282 -407 254 -508 290 -1301 1408 131 -280 374 -421 -812 -942 1061 -1061 308 -605 -398 1010 441 121 65 -101 -228 208 14 105 1150 96 1546 60 608 -193 -627 86 -303 465 1351 380 -973 458 -848 1129 68 333 870 93 142 666 85 -151 256 -1219 1436 -763 -1116 -2454 -1936 -909 -2587 -322 -230 97 626 845 865 1417 916 510 862 52 1702 635 -1235 92 293 -897 1117 808 -1297 -1516 -1497 -88 -776 323 -1556 156 279 -1235 1143 1084 766 -307 487 -884 -205 -1109 79 237 1633 192 1675 1998 -709 1127 152 -369 1564 754 428 -1881 260 -1290 -878 -224 338 -472 SS 20220121T145747.5Z 8056.623467 345 1 6.02 2 67.57 146.52 94.46 287.86 0.00 1 0.00 1 0 17 4.375e-02 7.495e-03 3.840e-02 5.527e-03 4.056231e-01 2.807843e-03 4.808146e-03 -6.000000e+00 2.517405e-02 224.01 -2.00 3.50 -2.00 318.42 0.00e+00 6.939742e-04 5.139182e-04 1.381339e-04 -6.000000e+00 1.019683e-03 275.58 -2.00 20.00 -2.00 318.13 0.00e+00 2.599 0.000 302.00 328.00 3 3.4280e+00 7.4807e-03 3.2991e-02 -6.0000e+00 6.2484e-02 5.3832e-02 8.4420e-03 2.0362e-02 -6.0000e+00 6.8089e-02 -1.2556e-02 6.0463e-03 1.0357e-02 -6.0000e+00 4.0130e-02 -1.3378e-03 3.2506e-03 3.0923e-03 -6.0000e+00 1.7048e-02 7.5648e-04 5.6272e-04 1.6248e-04 3.4842e-05 -6.0000e+00 1.2356e-03 7.3827e-03 5.3867e-05 12 9 1 12 1 1 999.00 22.48 0.33 0.00738 0.01161 2 5 1 5 0 1947.050 25.68 20.00 22.48 -1.51 13.7 865.02 -6335 -21758 -1356 3934 -22972 -21242 14249 6298 -11276 -9835 -5869 -13406 -8781 -377 369 817 6728 -1401 -140 587 2550 5244 1280 -5468 4179 -2063 2296 -1143 -1376 3297 1313 -1129 1811 -6798 -2151 -2713 -3259 -1704 3316 -1135 -1257 1499 -1407 979 -693 2443 582 2515 -126 -661 801 -109 179 0 853 886 -471 153 -181 657 1134 977 1 1401 275 652 585 -14 157 330 -216 1180 1337 -66 -150 -798 -731 -438 -282 -1228 -1329 -1963 -2696 -1242 -1497 -143 -374 868 826 750 692 546 1253 1084 1040 186 754 30 -295 491 -870 -474 344 -286 -1263 -557 -890 202 2 408 437 -462 -125 -282 259 27 485 -219 -22 -646 129 425 -77 -1 292 -416 1346 1110 -747 285 -199 3 521 474 316 -175 606 -188 -289 -131 -644 -485 -269 -1150 -59 151 -1061 -998 528 281 -652 -581 -344 -950 -702 -33 37 90 743 -177 -18 79 337 686 184 -889 654 -353 371 -180 -214 527 236 -229 386 -1549 -451 -599 -812 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