File name: Pandora69s1_NewBrunswickNJ_20220721_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T210245.6Z 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_20220721_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: 20220721 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 20220721T103200.8Z 8237.438898 212 1 50.03 2 82.72 69.30 30.07 152.37 0.00 1 0.00 1 0 25 6.154e-01 3.237e-02 4.373e-01 2.368e-02 8.676542e-01 1.422409e-02 9.190960e-03 -6.000000e+00 3.721534e-01 232.67 -2.00 3.50 -2.00 322.07 0.00e+00 6.779001e-04 5.890098e-03 1.129844e-03 -6.000000e+00 1.552773e-02 289.93 -2.00 20.00 -2.00 321.72 0.00e+00 7.274 0.007 302.00 328.00 3 1.3493e+00 4.6262e-02 8.7047e-02 -6.0000e+00 9.4457e-01 1.0315e+00 5.8114e-02 4.7190e-02 -6.0000e+00 1.0284e+00 -1.2341e+00 5.6279e-02 2.5567e-02 -6.0000e+00 5.9677e-01 4.7246e-01 2.8827e-02 8.6533e-03 -6.0000e+00 2.4599e-01 3.6365e-05 1.3680e-04 7.3521e-04 1.2301e-04 -6.0000e+00 1.8003e-02 9.7456e-03 7.8625e-05 12 8 8 10 0 0 80.68 22.79 0.92 0.00975 0.01077 18 4 1 5 0 2779.120 25.90 20.01 22.79 32.25 20.7 1059.91 258651 -71294 48663 -132864 900000 303357 -141675 -67249 -138016 4651 -136036 900000 -68940 900000 -105116 127718 -80338 99606 -60718 900000 125156 73432 -16131 -54801 246202 -23513 900000 26573 46908 -13732 130322 900000 -21280 900000 -66047 15902 75296 8227 -1331 -913 84811 -2263 900000 11399 101500 -41619 75978 -17790 67198 16526 65482 40001 47250 11832 36583 90384 -5080 60725 18825 33522 12245 38309 19407 -13286 39119 6714 46973 13266 11471 24157 37802 23312 20915 11646 -15096 18967 2488 44524 -7816 -7621 -4378 7874 10141 -11357 3719 1296 7203 -14432 7975 4611 -1153 -60 -2233 -1332 -9848 -1385 -6532 2270 361 -1708 -874 -3204 3227 -4622 -1257 -110 -951 -2827 98 -2164 1247 -222 -2033 604 -3061 2275 -3292 745 -484 1670 1734 770 -1216 2183 4774 1361 3442 431 73 -714 1786 608 -904 375 574 1614 -234 -41 -908 -585 108 -2165 5964 -1644 1122 -4513 900000 6995 -4809 -1551 -5041 107 -5148 900000 -1989 900000 -6219 2945 -4478 2297 -2972 900000 2886 1693 -493 -2550 5677 -826 900000 613 1082 -450 3005 900000 -1120 900000 -4872 546 1736 398 -84 -65 2813 -179 900000 782 2888 -4703 2823 -1695 2999 1317 3638 3103 3704 1390 3519 5319 -742 4528 1991 3033 1428 3876 2675 -2736 4946 1151 5681 2378 2366 4937 7171 5078 4415 2452 -3659 3038 463 6078 -2075 -2399 -1554 2795 3788 -5531 1671 624 3376 -8390 3657 2058 -510 -26 -993 -653 -6105 -931 -5396 1944 328 -1530 -717 -2415 2168 -3486 -976 -89 -838 -2793 107 -2738 1688 -319 -2983 842 -4270 3001 -4745 1087 -745 2522 2526 1087 -1695 2836 5885 1695 4295 619 120 -1346 3616 1337 -2151 944 1533 4403 -660 -117 -2510 -1512 260 -5047 SS 20220721T104338.5Z 8237.446973 215 1 49.17 2 80.64 71.08 29.11 157.66 0.00 1 0.00 1 0 17 5.693e-01 9.990e-03 2.774e-01 6.035e-03 7.401798e-01 3.467932e-03 7.928437e-03 -6.000000e+00 3.383061e-01 232.67 -2.00 3.50 -2.00 321.79 0.00e+00 5.054859e-03 1.443649e-03 9.255887e-04 -6.000000e+00 1.327223e-02 289.93 -2.00 20.00 -2.00 321.45 0.00e+00 5.845 0.004 302.00 328.00 3 9.9504e-01 1.1107e-02 7.1374e-02 -6.0000e+00 8.5689e-01 2.0605e-01 1.6343e-02 4.1730e-02 -6.0000e+00 9.2791e-01 -2.8919e-01 1.9612e-02 2.3876e-02 -6.0000e+00 5.4325e-01 1.1424e-01 9.5135e-03 8.1980e-03 -6.0000e+00 2.2655e-01 2.6972e-04 -2.1546e-04 1.9087e-04 1.0515e-04 -6.0000e+00 1.6116e-02 8.9500e-03 9.7661e-05 12 8 8 10 0 0 29.42 22.78 0.48 0.00895 0.00733 74 15 1 5 0 664.290 25.90 20.01 22.78 33.03 20.7 1064.66 -213167 -15673 -110088 -226956 -204262 -200716 -97515 -218061 -176828 -96057 -196954 -115916 -172357 -73386 -84524 140294 -83954 -15896 -49343 -20082 -44843 -53615 -43078 -80066 -19838 -53377 -33019 -28661 -45054 1253 -22178 -28098 8127 -1786 -23034 -4007 -21399 -4412 14043 7516 3788 10261 2485 7504 3873 -3534 11966 9983 9888 2884 9797 8972 12221 7065 221 11110 480 5427 6260 3284 8523 3716 6135 2512 5923 4360 2074 -1585 3393 2754 2736 4032 2253 1047 3740 -2136 -1269 -1213 -3489 -1723 -895 -813 713 -1230 199 -1069 202 1466 1550 1743 1261 -1536 904 -636 -1679 -141 747 440 -889 -526 -1024 -516 -607 -1538 -1969 -2622 -735 -1250 132 -585 -230 -78 156 -27 -63 533 -147 207 -612 113 211 732 766 773 794 53 1840 635 28 163 513 288 250 -65 46 -51 -84 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-2.00 20.00 -2.00 320.97 0.00e+00 4.988 0.002 302.00 328.00 3 7.0493e-01 4.5286e-03 6.0989e-02 -6.0000e+00 5.6665e-01 8.3337e-02 6.2385e-03 3.5476e-02 -6.0000e+00 6.1363e-01 -1.2454e-01 7.2503e-03 1.9706e-02 -6.0000e+00 3.5926e-01 4.5194e-02 3.6082e-03 6.5637e-03 -6.0000e+00 1.4981e-01 9.0665e-04 -5.7771e-05 8.3063e-05 7.6650e-05 -6.0000e+00 1.0658e-02 9.0896e-03 8.6032e-05 11 8 0 10 0 0 26.89 22.77 0.29 0.00909 0.00866 157 32 1 5 0 312.500 25.90 20.02 22.77 33.69 20.8 1069.57 -72352 -149263 -50572 -176487 -68406 -159805 -122998 -137590 -105511 -88128 -103584 -85789 -105003 -52119 -51173 -29122 -47658 -20144 -39868 -28242 -4232 -30575 -30525 -36656 -11464 -28548 -4507 -32517 -2752 -17342 -7130 -1668 -6360 10238 -19030 -2073 -8957 5019 -2740 -2933 1515 -3580 3253 5350 5636 -2361 7975 -475 4636 2675 1466 4681 3022 3986 2964 5800 908 2813 1620 1969 586 2377 5060 2513 2115 1405 1396 1026 1675 1447 906 1033 613 690 51 890 -2948 -814 -869 -962 -1193 -1431 -1661 -1368 -22 -642 770 694 1269 616 491 258 -365 716 -609 310 -156 -179 -488 59 -41 -338 361 -1142 -1082 -829 -421 -799 -86 -180 -209 1 -119 236 62 584 139 33 -421 -514 47 71 374 87 938 100 1421 622 31 284 224 269 -103 250 -111 -188 276 -42 -407 -129 -94 -278 -340 -1558 -224 -2345 -321 -1782 -1156 -1688 -1046 -782 -1163 -985 -1719 -707 -777 -456 -916 -325 -842 -556 -73 -638 -688 -948 -245 -759 -94 -872 -57 -481 -215 -56 -252 347 -835 -82 -436 256 -185 -231 115 -304 270 443 477 -222 697 -47 464 300 187 638 459 648 510 1005 168 502 286 352 114 510 1201 667 566 371 375 294 542 532 360 416 240 251 17 266 -893 -258 -321 -419 -602 -811 -1013 -887 -15 -471 578 530 948 437 324 162 -229 480 -472 276 -161 -191 -541 68 -43 -328 333 -1124 -1135 -914 -494 -1019 -111 -259 -325 1 -187 352 87 809 199 50 -676 -839 75 108 553 123 1375 143 2014 970 51 511 436 553 -224 578 -274 -481 717 -112 -1051 -314 -217 -617 SS 20220721T105940.0Z 8237.458101 223 1 48.92 2 77.74 73.51 28.11 165.39 0.00 1 0.00 1 0 25 2.683e-01 5.698e-03 6.895e-02 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