File name: Pandora69s1_NewBrunswickNJ_20231204_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20240113T155154.4Z 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 v1.8.59 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20231204_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: 20231204 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 20231204T124019.7Z 8738.528006 291 1 50.45 2 85.05 124.98 38.78 234.04 0.00 1 0.00 1 0 25 7.207e-01 5.393e-02 4.649e-01 4.049e-02 1.030573e+00 2.449174e-02 1.122484e-02 -6.000000e+00 4.224330e-01 223.04 -2.00 3.50 -2.00 322.16 0.00e+00 -1.595167e-02 8.772563e-03 1.086967e-03 -6.000000e+00 1.921407e-02 278.72 -2.00 20.00 -2.00 321.77 0.00e+00 9.901 0.018 302.00 328.00 3 -9.4959e-01 7.6640e-02 1.1259e-01 -6.0000e+00 1.0484e+00 2.0457e+00 9.0569e-02 5.2907e-02 -6.0000e+00 1.1513e+00 -2.1136e+00 7.5026e-02 2.9358e-02 -6.0000e+00 6.7640e-01 7.5374e-01 4.2394e-02 1.0260e-02 -6.0000e+00 2.9165e-01 2.1474e-05 -8.3850e-04 1.1645e-03 1.5082e-04 -6.0000e+00 2.0894e-02 2.0078e-02 2.0137e-05 12 8 8 10 0 0 88.65 22.71 1.28 0.02008 0.01378 25 5 1 5 0 2017.350 25.90 20.00 22.71 13.32 28.9 953.49 900000 900000 14579 900000 900000 354233 -20786 85507 -17650 -38337 7512 287950 -5596 152250 900000 74161 900000 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961 5551 871 5561 -2991 900000 2045 5291 2235 5839 4752 -3125 10614 -2173 -1451 1730 4256 2844 1742 4183 -576 3629 -8525 6158 452 9622 829 6925 -2836 2802 5365 -241 2743 1453 4853 840 5538 -4805 2876 6615 -6922 8107 -2663 7311 -3218 8354 -2207 -1447 -4517 -5264 58 -643 12880 -5730 3052 -9394 5382 -4749 -1728 -4042 -2242 -1257 -3315 6706 -7509 1183 -5309 1637 1757 -5919 3715 -3733 10292 -3845 6262 -2810 13679 -3370 6572 -1053 -4464 2760 -8813 2985 -1929 7190 2561 2050 -6829 1287 2491 -6408 6891 -3881 -2044 -1905 4793 -980 SS 20231204T125245.0Z 8738.536632 294 1 49.83 2 83.14 127.14 40.73 237.54 0.00 1 0.00 1 0 17 5.271e-01 1.892e-02 2.914e-01 8.173e-03 8.867242e-01 4.707951e-03 9.446389e-03 -6.000000e+00 3.038817e-01 223.04 -2.00 3.50 -2.00 322.12 0.00e+00 9.322694e-03 2.118517e-03 1.348493e-03 -6.000000e+00 1.327956e-02 278.72 -2.00 20.00 -2.00 321.77 0.00e+00 7.661 0.008 302.00 328.00 3 -6.0336e-01 1.5588e-02 8.9654e-02 -6.0000e+00 7.5567e-01 7.9230e-01 2.3038e-02 4.7819e-02 -6.0000e+00 8.2654e-01 -9.5929e-01 2.6361e-02 2.7758e-02 -6.0000e+00 4.8446e-01 3.8414e-01 1.2667e-02 9.9828e-03 -6.0000e+00 2.0827e-01 1.8976e-04 -1.1588e-03 2.4503e-04 1.4808e-04 -6.0000e+00 1.5256e-02 1.8809e-02 5.6011e-05 12 8 8 10 0 0 9.01 22.72 0.44 0.01881 0.01010 103 21 1 5 0 483.630 25.90 20.00 22.72 13.89 28.8 957.60 900000 -176202 900000 -226822 -134792 -203779 -148032 900000 -135085 900000 -218666 -48801 -149378 19831 -108686 38617 216 -83602 11255 -87362 134268 -57031 900000 -60857 -1121 -26547 40191 -24112 -57761 -12199 -20270 900000 -3740 71569 -8997 9232 48837 50513 17850 -2103 46582 35847 84325 16005 59749 25132 35715 50449 7643 40267 12278 42279 20872 53640 31759 21502 16568 14382 26578 8764 31297 3469 29175 10803 20098 8894 21462 16566 10626 15004 7235 16544 553 10930 -4475 6668 -5668 -3783 3233 152 3651 -1028 634 -3567 1326 -845 1242 1469 389 3520 -3324 -385 -5302 -738 -2448 -622 -354 -1971 -601 -1239 402 -2403 956 -3599 -1094 -2588 -1685 -1717 -1647 -1151 -1973 -389 -1690 -1090 -872 655 43 624 1049 1034 2341 1300 1864 969 1976 880 1962 541 190 675 -225 731 -254 892 -542 34 317 293 17 -529 -675 -1396 900000 -3623 900000 -6770 -1431 -4190 -1767 900000 -1523 900000 -6237 -388 -3666 158 -2956 307 3 -2495 134 -2782 1069 -1248 900000 -1453 -15 -458 378 -384 -1379 -227 -511 900000 -107 1036 -251 220 954 1039 604 -99 1452 1308 1958 743 1823 1117 1492 1941 487 2057 937 2636 1758 3487 2654 2025 1627 1383 2168 855 2616 437 3309 1515 2633 1312 2917 2556 1978 3004 1657 3444 127 2055 -871 1066 -1031 -755 726 43 1158 -387 253 -1572 593 -405 600 714 187 1543 -1461 -160 -2386 -356 -1424 -423 -284 -1828 -574 -1149 335 -1833 660 -2697 -849 -2153 -1504 -1702 -1864 -1491 -2867 -585 -2580 -1609 -1239 910 62 947 1650 1618 3459 1853 2550 1287 2527 1114 2524 799 328 1317 -491 1582 -592 2209 -1445 92 874 810 45 -1325 -1694 -3329 SS 20231204T130349.0Z 8738.544317 297 1 49.72 2 81.49 129.11 42.54 240.46 0.00 1 0.00 1 0 17 6.048e-01 9.388e-03 1.443e-01 3.235e-03 7.751859e-01 1.772919e-03 8.303883e-03 -6.000000e+00 3.462855e-01 223.04 -2.00 3.50 -2.00 321.73 0.00e+00 5.080140e-03 7.630718e-04 1.010008e-03 -6.000000e+00 1.409822e-02 278.72 -2.00 20.00 -2.00 321.41 0.00e+00 6.364 0.005 302.00 328.00 3 -5.4574e-01 5.6082e-03 7.5137e-02 -6.0000e+00 8.5761e-01 2.9188e-01 8.5823e-03 4.1874e-02 -6.0000e+00 9.3569e-01 -3.2660e-01 1.0458e-02 2.4740e-02 -6.0000e+00 5.5189e-01 1.2558e-01 5.0544e-03 8.8106e-03 -6.0000e+00 2.3451e-01 7.4568e-04 -2.7301e-04 9.6188e-05 1.0848e-04 -6.0000e+00 1.7084e-02 1.8751e-02 5.0072e-05 12 8 8 10 0 0 10.17 22.72 0.32 0.01875 0.01670 224 46 1 5 0 221.910 25.90 20.00 22.72 14.64 28.7 961.98 -230854 -156452 -211227 -213793 -191643 -215668 -85737 -175547 -172332 -172299 -189876 -156126 -131482 -119083 -106767 -9214 -55393 -47449 -81662 -48265 -63252 -40660 -53741 -37957 -59947 -57202 -36117 -62470 -32985 -41685 -13701 -9931 -931 -5060 -1859 -8977 -7650 549 988 10823 1783 15369 9856 2377 9368 290 11525 6358 3744 9970 8609 11651 14039 9089 6870 6690 3637 7692 6341 5028 4607 6895 7253 7005 5984 3723 4096 4369 4877 2195 3019 1607 2071 981 848 1123 -3382 1 -1059 -363 -191 -1752 -1711 -1144 -637 -771 -51 328 1319 986 531 -462 -597 -1209 -1301 -432 23 -5 -404 -146 -701 -535 258 -1257 -1532 -1126 -773 -896 -190 -625 -55 -221 102 -297 5 405 59 490 -38 -143 592 546 379 461 796 185 1276 571 -46 404 151 -5 0 179 -161 -55 266 -218 -242 -49 -124 -499 -2714 -1086 -2362 -2268 -1693 -2288 -297 -1661 -1740 -1848 -2450 -2019 -1783 -1707 -1715 -73 -786 -688 -1616 -776 -1177 -616 -1000 -647 -1221 -1181 -661 -1326 -614 -932 -315 -239 -23 -132 -45 -250 -241 19 42 484 96 767 543 144 543 19 707 438 286 798 792 1156 1498 1011 818 825 466 920 747 607 603 1006 1218 1302 1142 727 828 952 1208 630 915 497 607 266 207 251 -790 0 -318 -129 -79 -831 -872 -618 -366 -466 -32 205 798 562 285 -241 -319 -720 -904 -350 22 -5 -443 -154 -680 -464 211 -1092 -1419 -1096 -807 -1030 -245 -914 -81 -338 154 -432 8 600 91 790 -60 -224 958 849 570 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