File name: Pandora64s1_NewHavenCT_20231113_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231114T044355.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231113_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231113 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231113T121036.2Z 8717.507364 60 1 48.44 2 85.22 119.05 88.58 120.42 0.00 1 0.00 1 0 49 6.156e-01 9.739e-02 2.993e-01 3.952e-02 9.573903e-01 2.273691e-02 1.120514e-02 -6.000000e+00 3.657969e-01 223.34 -2.00 3.52 -2.00 320.91 0.00e+00 -8.535786e-03 5.737924e-03 6.526603e-03 -6.000000e+00 1.664473e-02 280.46 -2.00 20.00 -2.00 320.11 0.00e+00 10.144 0.019 302.00 328.00 3 3.7123e-02 6.5970e-02 1.2014e-01 -6.0000e+00 8.9982e-01 2.5466e+00 7.6493e-02 7.4857e-02 -6.0000e+00 9.7653e-01 -2.0908e+00 4.3743e-02 2.5757e-02 -6.0000e+00 5.8299e-01 5.8912e-01 2.2756e-02 1.2205e-02 -6.0000e+00 2.4986e-01 5.2198e-06 2.6495e-03 1.0535e-03 1.1125e-04 -6.0000e+00 1.8320e-02 4.3666e-03 -1.5849e-04 12 8 8 10 0 0 -4.76 21.01 0.61 0.00437 0.02428 13 3 1 5 0 3725.420 25.58 20.01 21.01 4.14 36.0 922.12 20118 49009 65723 132090 213991 27946 31263 27384 62206 109454 -21237 900000 -21730 164287 22966 109580 17214 184757 23173 134646 103461 900000 132394 259178 53532 55995 -38513 25490 29756 -101353 3321 27062 126183 46127 9110 121867 55235 -8672 52010 36560 71617 20249 104196 -41303 3357 -7951 80014 2669 109079 -69074 88679 10065 70432 -8856 112025 -2492 92291 -4815 60776 -17824 26373 -1288 60004 29439 122767 -19109 37548 38847 47533 22378 59420 53939 1584 -2996 -29531 -12648 205561 6868 -13257 32098 -8163 30972 3248 11846 7743 -4112 13168 11751 19567 1124 -19614 25252 -31755 9721 15297 32063 -563 13794 6790 2532 -19143 -1561 -19941 5975 -11293 -4777 -7748 43572 -1868 9633 15640 745 -6534 5302 -3390 -4872 -3460 -1851 -4398 3418 -5819 8170 -3770 6376 9788 -2721 -6955 10791 748 -1730 -4621 -6985 149 -204 1935 2346 1496 1346 4558 -2397 1285 -3336 4219 7236 7173 6285 8242 2990 3345 3164 5497 5952 -4090 900000 -5347 7445 4423 9683 3610 7535 4215 7932 7501 900000 7199 9983 6550 6343 -9395 3061 3304 -43376 595 4108 7898 5539 1445 6748 6132 -2102 7895 7041 9898 4588 10284 -14318 745 -1892 8283 574 8928 -32074 10460 2600 11190 -3050 12405 -819 11997 -1429 9071 -5209 5396 -356 10545 7070 12117 -7274 8422 9154 11524 7504 14877 13764 585 -1025 -11441 -3783 7918 1867 -5196 9309 -4050 11579 1685 5905 4193 -2562 6952 6150 9044 578 -11688 9440 -21944 5022 8734 17944 -500 11782 5971 2334 -18720 -1203 -17575 4264 -10030 -4167 -7549 28136 -2058 10802 18206 1048 -9927 6977 -4722 -6881 -4990 -2733 -6870 4828 -8555 9948 -5042 7874 11510 -3360 -9361 14062 1259 -3383 -10313 -17235 370 -520 5142 6349 4139 3737 12436 -6540 3167 -8203 SS 20231113T122205.9Z 8717.515347 63 1 48.30 2 83.35 121.06 86.82 122.33 0.00 1 0.00 1 0 41 3.132e-01 2.521e-02 1.468e-01 8.483e-03 9.234233e-01 4.998930e-03 1.039087e-02 -6.000000e+00 1.859499e-01 223.34 -2.00 3.52 -2.00 322.03 0.00e+00 7.811531e-03 2.622430e-03 1.472195e-03 -6.000000e+00 8.270140e-03 280.46 -2.00 20.00 -2.00 321.57 0.00e+00 7.857 0.009 302.00 328.00 3 6.5783e-01 1.8200e-02 9.3347e-02 -6.0000e+00 4.5752e-01 1.1855e+00 2.2862e-02 5.3507e-02 -6.0000e+00 4.9663e-01 -1.5364e+00 1.8136e-02 2.6124e-02 -6.0000e+00 2.9645e-01 6.1276e-01 8.8201e-03 1.0222e-02 -6.0000e+00 1.2670e-01 4.1215e-05 -2.9320e-03 2.3286e-04 1.4965e-04 -6.0000e+00 9.3011e-03 4.3374e-03 -1.2058e-04 12 8 8 10 0 0 -22.03 21.02 0.25 0.00434 -0.01770 60 14 1 5 0 804.980 25.58 20.01 21.02 5.24 36.1 928.00 -51478 -53055 -42421 -98193 14367 -82345 -94672 -144627 -22312 -103170 -94187 -69706 -59140 -28003 -4609 -3660 9303 37703 11025 31039 -13803 -6007 39202 17395 -154 19367 -38360 -21858 -53305 -93977 -5421 21609 13480 10398 45578 10618 7877 20951 32269 30001 46253 49251 40535 842 15927 28809 26232 17976 10081 -6565 40196 55346 28616 28940 37842 23913 16231 17254 30059 15543 22264 18199 21872 33982 28159 13512 19830 25838 18112 19930 13808 20189 13482 12198 4479 2781 14683 -2230 -260 1819 -1841 -9996 -445 1130 900 -1731 2476 1351 4066 1561 -1970 -1656 -6170 -5329 -3641 -2360 -4875 -1535 -201 -2162 -1517 -2530 -6988 -3514 -2053 -6213 -4582 531 -2482 -209 -164 -458 -455 -58 -754 -926 1329 -502 1103 939 1091 1614 3481 2926 3972 2371 -466 1447 1532 488 1222 -343 -180 -313 1047 -100 -374 151 366 -601 -858 -2307 -1664 -1795 -1244 -4282 190 -2415 -3061 -7721 -388 -3646 -3116 -2149 -2090 -905 -156 -127 331 1060 401 899 -582 -219 908 504 -5 529 -1777 -814 -2778 -7702 -247 858 647 507 1432 474 391 1040 1655 1762 2448 2607 2380 66 1172 1882 1801 1412 826 -691 3258 4211 2776 2981 3642 2679 1940 1946 3108 1660 2327 2217 2927 4523 4108 2276 3280 4274 3650 4406 3405 4675 3142 2623 926 533 2506 -493 -67 554 -678 -4189 -183 484 411 -846 1198 664 1909 712 -877 -719 -2879 -2759 -2188 -1661 -4109 -1433 -196 -2103 -1358 -2039 -5476 -2746 -1685 -5571 -4392 534 -2947 -259 -227 -675 -680 -85 -1083 -1321 1919 -771 1743 1485 1652 2311 4758 3887 5112 3049 -623 2141 2652 973 2694 -770 -434 -809 2855 -284 -1073 434 1019 -1580 -2106 -5384 SS 20231113T123227.9Z 8717.522545 66 1 48.42 2 81.70 122.91 85.27 124.10 0.00 1 0.00 1 0 25 4.672e-01 2.274e-02 9.198e-02 3.156e-03 7.903886e-01 1.779600e-03 9.530800e-03 -6.000000e+00 2.774836e-01 223.34 -2.00 3.52 -2.00 321.62 0.00e+00 1.889125e-02 9.545992e-04 3.329265e-03 -6.000000e+00 1.233852e-02 280.46 -2.00 20.00 -2.00 321.15 0.00e+00 6.506 0.005 302.00 328.00 3 6.3623e-01 6.3965e-03 7.7306e-02 -6.0000e+00 6.8274e-01 5.2666e-01 8.4968e-03 4.3352e-02 -6.0000e+00 7.4106e-01 -7.4102e-01 7.9967e-03 2.8000e-02 -6.0000e+00 4.4235e-01 3.0902e-01 3.7571e-03 1.8654e-02 -6.0000e+00 1.8911e-01 1.8699e-04 -2.0630e-03 8.8839e-05 3.1714e-04 -6.0000e+00 1.3876e-02 3.3637e-03 -1.0482e-04 12 9 8 11 8 0 8.72 21.02 0.21 0.00336 -0.01214 148 36 1 5 0 327.120 25.68 20.02 21.02 6.59 36.0 933.58 -132963 -110503 -146770 -116655 -274905 -118229 -147680 -137557 -149174 -96129 -148482 -56816 -97061 -57317 -35636 582 -22964 5560 -23279 66571 2983 8510 -25114 -152 -21260 -9238 -32599 -16952 502 -36526 13111 24132 30522 14921 30431 7337 24301 4029 29470 22487 27045 12932 27437 13620 35560 26992 31170 23368 35411 15520 35877 25174 33817 24026 24857 14242 17198 8583 17310 11391 13841 11369 16543 18562 19842 9950 14036 9558 11350 8209 7720 5770 3516 2279 -784 -2614 545 -2131 22 1015 -853 -2455 -1923 -2923 -1748 -1738 -273 -592 364 539 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