File name: Pandora64s1_NewHavenCT_20241114_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241115T044449.3Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241114_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: 20241114 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 20241114T121208.8Z 9084.508435 251 1 47.79 2 85.34 119.59 110.54 312.42 0.00 1 0.00 1 0 25 3.877e-01 7.616e-02 1.787e-01 2.991e-02 8.604213e-01 1.703205e-02 1.013981e-02 -6.000000e+00 2.300392e-01 223.16 -2.00 3.52 -2.00 320.90 0.00e+00 1.660743e-03 4.496000e-03 2.711174e-03 -6.000000e+00 1.022971e-02 280.22 -2.00 20.00 -2.00 320.17 0.00e+00 10.335 0.020 302.00 328.00 3 -3.6163e-01 4.9415e-02 1.1316e-01 -6.0000e+00 5.6582e-01 2.2525e+00 5.7098e-02 4.4908e-02 -6.0000e+00 6.1433e-01 -1.8770e+00 3.4047e-02 2.2053e-02 -6.0000e+00 3.6669e-01 5.5819e-01 1.7598e-02 6.5262e-03 -6.0000e+00 1.5673e-01 7.8541e-06 -1.4226e-03 8.2909e-04 1.2016e-04 -6.0000e+00 1.1516e-02 3.8227e-03 -1.8770e-04 12 8 8 10 0 0 -38.91 21.48 0.61 0.00382 -0.00687 18 4 1 5 0 2654.940 25.90 20.00 21.48 6.01 37.8 932.62 6246 61383 63947 96042 43618 31071 -852 -4113 55029 16830 -33253 39743 58998 -2268 128311 18955 89728 77206 28799 41931 106283 67177 138665 77226 64140 33968 -23276 -20902 -7891 -100677 -2728 19592 81899 31480 58146 30523 30267 -18202 15218 12256 85637 49916 43722 -57123 25664 10090 93698 -34376 22850 -63597 69816 53637 95224 4683 47165 -6976 40690 -5542 47139 12175 -4960 24336 33485 -24711 30972 14231 6343 60506 18787 22346 22113 24235 -2292 9881 -5177 -16191 35910 5136 -11814 24301 -10508 7017 -69 15188 15146 1081 10606 12301 10206 4974 -5483 13384 -21579 -5314 -1460 21903 -2953 10193 1593 -5418 -8126 -6314 -21407 -2180 -914 -3078 -3888 15025 11 6221 7723 1439 -2849 1358 2503 -4771 189 -4535 -2285 2851 -5907 497 4363 3422 5276 -2576 -3672 2242 3039 -2811 -1510 -4738 -913 -966 2050 -162 2448 593 4063 -434 -603 -2830 1190 7033 6528 5802 3726 2783 -103 -514 3783 1648 -5334 3477 5039 -416 7772 3396 8038 7881 4560 5503 7153 6179 6222 6411 5900 3751 -4170 -3309 -1068 -37752 -443 2775 7166 4308 5479 3766 4006 -4095 2790 2528 9414 7839 7161 -22610 4606 2060 8198 -10241 4255 -27690 9398 9025 11109 1307 9312 -2194 8307 -1559 7826 2759 -1369 5460 7588 -10090 7783 4119 2035 11810 6196 7216 7371 8373 -888 3281 -1754 -5521 7170 1498 -4430 8014 -5210 3274 -37 7246 7604 644 5855 6612 5422 2601 -2970 6246 -13486 -3122 -958 13232 -2627 8940 1579 -5542 -7838 -5327 -19712 -1721 -754 -2706 -3718 13021 13 7581 10249 2122 -4404 1960 3452 -7007 273 -7171 -3689 4359 -9463 713 5863 4476 6638 -3435 -5026 3265 5097 -5275 -3097 -10788 -2150 -2447 5392 -448 6708 1671 10776 -1133 -1483 -6747 SS 20241114T122359.4Z 9084.516660 254 1 48.61 2 83.43 121.66 112.04 314.88 0.00 1 0.00 1 0 25 3.329e-01 2.851e-02 1.285e-01 6.102e-03 7.547389e-01 3.462853e-03 9.743117e-03 -6.000000e+00 1.975529e-01 223.16 -2.00 3.52 -2.00 321.75 0.00e+00 2.937924e-02 1.796702e-03 2.540215e-03 -6.000000e+00 8.782369e-03 280.22 -2.00 20.00 -2.00 321.27 0.00e+00 7.934 0.009 302.00 328.00 3 2.6890e-01 1.2446e-02 8.9400e-02 -6.0000e+00 4.8592e-01 9.0671e-01 1.5292e-02 5.0213e-02 -6.0000e+00 5.2753e-01 -1.1763e+00 1.2370e-02 2.5022e-02 -6.0000e+00 3.1489e-01 4.9109e-01 5.9875e-03 2.5036e-02 -6.0000e+00 1.3462e-01 6.7095e-05 -3.4816e-03 1.7806e-04 4.1840e-04 -6.0000e+00 9.8865e-03 2.8965e-03 -1.4755e-04 12 8 8 10 0 0 25.68 21.48 0.26 0.00290 -0.02327 79 19 1 5 0 615.280 25.90 19.98 21.48 6.75 37.9 936.42 -38044 20604 25014 -26321 -192815 -59450 -57427 -68817 -59341 -64884 -72688 -72865 -12453 -40563 29578 14824 40298 52687 54368 31266 39737 73496 114920 -4130 1017 -32119 -29389 -5444 11673 -41720 31755 22220 41191 39468 48636 14192 35287 17955 35338 19108 35408 45229 53301 20690 44490 34279 61343 32983 51326 18580 54083 46575 48677 37804 38081 21572 16752 16279 18040 15080 13534 14966 23503 16380 32040 17587 13882 20546 11768 14475 9451 9531 3286 3780 -1467 -726 4010 -2331 -1056 4531 414 -1563 -2954 -3229 -2854 -2611 -1776 -1397 -353 343 -1566 -2512 -8570 -6233 -6144 -2807 -3905 496 61 328 -1002 -2435 -5347 -2799 -2924 -4245 -2849 -592 -2038 -1329 -103 -839 -616 -182 -527 -762 179 1 1690 1912 1235 3181 2656 2441 2696 2274 -650 1652 1979 838 1407 -3 260 -525 819 -514 -708 -283 314 -483 -261 -2449 -1049 345 406 -626 -18736 -1447 -1211 -1489 -1200 -1312 -1600 -1813 -259 -1382 704 441 1127 1411 1456 1042 1135 1355 1299 -140 30 -1280 -1119 -165 326 -2189 1115 1005 1740 1691 1736 709 1512 1004 1850 1168 2128 2583 2981 1511 2938 2392 3759 2587 3525 1899 4271 4282 4633 4191 4181 2753 2193 2060 2195 1941 1918 2380 3928 3295 5684 3548 2973 4278 2979 3977 2624 2897 925 1065 -393 -177 926 -622 -331 1476 163 -708 -1456 -1681 -1579 -1513 -1063 -845 -209 193 -842 -1310 -4754 -3696 -4253 -2222 -3369 469 62 322 -930 -2231 -4721 -2494 -2574 -3973 -2849 -633 -2496 -1832 -155 -1328 -975 -279 -781 -1121 270 1 2795 3197 2020 4896 4001 3554 3818 3171 -934 2569 3282 1579 2903 -6 615 -1246 2047 -1343 -1878 -755 818 -1196 -653 -5910 SS 20241114T123418.9Z 9084.523830 257 1 48.34 2 81.79 123.50 113.29 317.09 0.00 1 0.00 1 0 25 4.758e-01 1.385e-02 7.786e-02 2.453e-03 6.681682e-01 1.375261e-03 7.859705e-03 -6.000000e+00 2.824429e-01 223.16 -2.00 3.52 -2.00 321.22 0.00e+00 6.863315e-03 6.621222e-04 2.457022e-03 -6.000000e+00 1.255261e-02 280.22 -2.00 20.00 -2.00 320.71 0.00e+00 6.572 0.005 302.00 328.00 3 3.9529e-01 4.6302e-03 7.4531e-02 -6.0000e+00 6.9474e-01 1.7725e-01 6.2048e-03 3.6878e-02 -6.0000e+00 7.5416e-01 -2.3552e-01 6.1148e-03 2.2015e-02 -6.0000e+00 4.5016e-01 9.3820e-02 2.9200e-03 9.5360e-03 -6.0000e+00 1.9251e-01 2.8012e-04 -1.2413e-03 7.3800e-05 1.4422e-04 -6.0000e+00 1.4130e-02 1.9951e-03 -1.1048e-04 12 8 8 10 0 0 19.71 21.50 0.20 0.00200 -0.00733 178 43 1 5 0 271.510 25.90 20.01 21.50 7.68 37.8 939.87 -141722 -151296 -110287 -163703 -268771 -172274 -125884 -146388 -104293 -135846 -105724 -113294 -41853 -96263 -15921 -60683 -14214 -16377 -563 -41894 9316 -41818 22352 -43169 6051 -34561 -9679 -46849 -1233 -49785 917 -18372 22815 -7628 8175 -10812 8163 -6345 18016 -508 15089 2828 15106 -219 15203 10620 17142 7154 10621 3421 14347 6731 13728 10052 8656 2899 3454 4806 6513 4426 3935 5096 5951 5202 5437 2781 1710 2967 2615 4773 1320 2914 -258 1821 -2541 -1482 -1441 -2295 -3079 1416 -1316 -144 -2267 -2134 -1719 -397 -505 344 438 570 -800 358 -2311 -1157 -1216 -403 -1139 964 250 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