File name: Pandora69s1_NewBrunswickNJ_20230129_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T221800.2Z 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_20230129_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: 20230129 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 20230129T130448.7Z 8429.545008 109 1 50.03 2 81.61 122.30 117.90 24.65 0.00 1 0.00 1 0 17 5.252e-01 2.552e-02 4.363e-01 1.993e-02 7.601765e-01 1.129950e-02 8.368962e-03 -6.000000e+00 3.054288e-01 224.30 -2.00 3.50 -2.00 321.69 0.00e+00 1.041430e-02 4.617691e-03 8.828920e-04 -6.000000e+00 1.529103e-02 275.56 -2.00 20.00 -2.00 321.36 0.00e+00 6.451 0.005 302.00 328.00 3 2.1346e+00 3.5207e-02 7.5439e-02 -6.0000e+00 7.6096e-01 6.3284e-01 4.6315e-02 4.0039e-02 -6.0000e+00 8.3142e-01 -7.0435e-01 4.9704e-02 2.1907e-02 -6.0000e+00 4.8811e-01 2.8550e-01 2.4868e-02 7.4402e-03 -6.0000e+00 2.0657e-01 4.2785e-05 -1.3220e-03 6.0615e-04 1.0794e-04 -6.0000e+00 1.5394e-02 1.5000e-02 -2.0251e-05 12 8 8 10 0 0 98.75 22.82 0.40 0.01500 0.00507 15 3 1 5 0 3334.530 26.00 20.00 22.82 9.03 22.9 954.45 -118125 -109074 -220326 -128271 -81143 -726 -79605 -151604 900000 900000 900000 38342 -27440 900000 260551 164385 900000 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2682 1024 2043 1343 -94 507 1676 3450 1325 2672 -2003 3478 1147 2347 1375 2926 485 -321 259 -5837 -3293 1077 4563 -2829 -1105 -1831 -1544 3406 -2195 -2518 -322 -1024 1817 3127 -1498 -1958 -4402 -156 4660 1896 1139 -2244 -1847 10 231 -3879 -888 -2580 -2417 -3316 967 -903 -1350 -918 1494 -2393 -1306 -2609 2139 -1323 195 -704 4862 4842 2068 -32 1583 1545 1531 261 3093 1454 -625 1703 1045 -1738 4293 -4022 793 -2617 3487 -2368 -197 -3506 SS 20230129T132052.2Z 8429.556160 114 1 49.44 2 79.07 125.19 116.54 28.46 0.00 1 0.00 1 0 25 3.526e-01 6.669e-03 1.141e-01 2.431e-03 6.360121e-01 1.313664e-03 7.116998e-03 -6.000000e+00 2.029039e-01 224.30 -2.00 3.50 -2.00 321.12 0.00e+00 2.787715e-03 4.971973e-04 6.273735e-04 -6.000000e+00 8.218034e-03 275.56 -2.00 20.00 -2.00 320.79 0.00e+00 5.085 0.002 302.00 328.00 3 5.9951e-01 3.9564e-03 6.0420e-02 -6.0000e+00 5.0391e-01 1.0159e-01 5.3678e-03 3.3953e-02 -6.0000e+00 5.4922e-01 -1.0016e-01 6.1907e-03 1.9044e-02 -6.0000e+00 3.2365e-01 3.1777e-02 3.1142e-03 6.4215e-03 -6.0000e+00 1.3724e-01 9.4993e-04 -3.0385e-04 7.4608e-05 8.1816e-05 -6.0000e+00 9.9611e-03 1.4101e-02 8.5375e-06 11 8 0 10 0 0 95.86 22.82 0.30 0.01410 0.01182 154 32 1 5 0 320.980 26.00 20.00 22.82 10.27 23.0 964.88 2076 -160621 -83586 -147646 -124613 -122017 -133287 -126554 -122686 -74084 -106205 -39787 -71796 -41061 -42024 -10965 -24558 -43413 -7010 -18771 -3274 -20436 -17153 -24234 -12033 -9879 -20811 -22495 -29730 -528 -13235 6122 -5363 -918 -6368 -480 -2076 -2574 687 -1950 4853 -4021 3929 -703 5953 -320 58 4409 1091 6456 2140 6895 1557 2240 1679 765 2418 1593 2525 -823 2557 788 4872 1468 2875 725 1172 1776 802 2017 470 1474 96 700 189 -665 -1475 -1422 -1033 -1773 -455 -2762 -1334 -1463 -487 -844 70 813 903 1240 504 550 165 136 -266 452 473 281 -105 -173 -186 -623 213 -679 -1258 -954 -695 -312 -242 -120 -92 125 21 155 -158 508 244 -155 -205 -624 178 344 461 149 714 -108 1036 1079 47 123 -136 176 -245 246 -207 -6 468 -171 -249 -183 -135 -207 5 -2181 -594 -1686 -1074 -1186 -1465 -1473 -1534 -667 -1305 -340 -990 -531 -679 -151 -434 -1020 -122 -384 -58 -440 -388 -637 -298 -251 -588 -625 -923 -14 -485 216 -239 -39 -279 -21 -107 -161 47 -158 402 -387 364 -69 562 -33 6 466 126 778 302 1024 267 411 325 155 487 317 486 -166 536 189 1274 432 835 211 346 555 287 806 204 641 41 274 67 -217 -475 -491 -413 -842 -246 -1709 -872 -1019 -361 -661 57 658 717 922 351 365 109 98 -219 428 476 316 -122 -193 -192 -632 206 -695 -1380 -1013 -787 -382 -328 -181 -150 207 34 238 -232 728 362 -243 -338 -1046 288 537 695 216 990 -146 1395 1590 79 227 -272 371 -547 582 -485 -15 1145 -426 -604 -418 -315 -462 SS 20230129T132648.1Z 8429.560279 117 1 49.56 2 78.15 126.29 116.00 29.84 0.00 1 0.00 1 0 25 2.553e-01 6.669e-03 2.157e-01 5.107e-03 5.946231e-01 2.724469e-03 6.691713e-03 -6.000000e+00 1.469402e-01 224.30 -2.00 3.50 -2.00 320.95 0.00e+00 1.904612e-03 9.854922e-04 5.270215e-04 -6.000000e+00 5.952137e-03 275.56 -2.00 20.00 -2.00 320.64 0.00e+00 4.722 0.002 302.00 328.00 3 2.3304e+00 8.0538e-03 5.6090e-02 -6.0000e+00 3.6492e-01 8.5645e-02 1.0644e-02 3.1388e-02 -6.0000e+00 3.9775e-01 -4.9650e-02 1.2072e-02 1.7401e-02 -6.0000e+00 2.3439e-01 1.0680e-02 6.1633e-03 5.8101e-03 -6.0000e+00 9.9383e-02 2.4465e-04 -5.3583e-04 1.5741e-04 7.1560e-05 -6.0000e+00 7.2147e-03 1.4271e-02 -1.5176e-05 11 8 0 10 0 0 99.86 22.82 0.12 0.01427 0.01024 32 7 1 5 0 1548.430 26.00 20.00 22.82 10.86 23.1 969.22 -98161 -51473 -128193 -52233 -109216 -11626 -133680 34319 -56873 -40104 -35909 -28163 -31789 -57797 34720 -30270 52972 -15709 12984 -25919 39796 47137 -23400 35383 -12297 -9951 -18482 6815 -13177 -18651 -8112 -6873 16721 -2729 -2239 -21544 4599 -11345 6144 2450 -2046 4450 -876 7721 -4827 4981 -1813 2589 -4735 1261 635 4536 5440 -1165 3152 866 2640 -2994 3434 -1549 560 1888 2414 2653 -762 2700 -1343 2073 495 1214 786 -117 2538 -131 3001 -2093 563 -2152 -157 -2371 -1432 -489 -1401 668 -791 -560 -894 314 1130 -536 12 312 106 -1054 -408 -444 939 511 391 -683 -261 445 531 16 -1399 -662 -662 -466 -189 -50 403 372 -94 17 42 -364 278 493 189 -702 183 -89 92 159 43 566 1047 954 -279 -62 67 130 -112 -27 56 -423 457 -257 -145 -372 -50 306 -933 -357 -1811 -351 -1172 -58 -2073 171 -553 -356 -329 -286 -414 -1170 369 -657 601 -359 243 -717 616 701 -710 680 -387 -320 -640 181 -431 -728 -336 -324 704 -138 -109 -1338 256 -875 486 232 -220 476 -103 846 -608 583 -232 329 -678 186 105 791 1024 -251 680 198 601 -707 748 -359 136 504 722 854 -253 847 -444 701 192 525 364 -56 1133 -56 1131 -759 194 -808 -67 -1192 -816 -306 -945 468 -603 -448 -744 262 919 -418 9 215 72 -778 -338 -420 997 601 472 -803 -285 441 508 16 -1519 -748 -795 -599 -265 -77 656 615 -154 27 62 -531 415 770 311 -1177 299 -142 142 236 62 781 1444 1421 -464 -112 129 262 -237 -59 130 -1022 1113 -636 -352 -864 -110 653 SS 20230129T133214.3Z 8429.564055 120 1 49.62 2 77.33 127.30 115.48 31.09 0.00 1 0.00 1 0 25 2.455e-01 6.583e-03 1.699e-01 4.477e-03 5.645691e-01 2.369951e-03 6.393259e-03 -6.000000e+00 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