File name: Pandora64s1_NewHavenCT_20241125_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241126T044611.3Z 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_20241125_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: 20241125 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 20241125T122711.4Z 9095.518882 231 1 48.61 2 85.16 123.43 41.82 177.20 0.00 1 0.00 1 0 33 5.184e-01 1.106e-01 1.503e-01 3.313e-02 9.592651e-01 1.924281e-02 1.322954e-02 -6.000000e+00 3.075558e-01 223.00 -2.00 3.52 -2.00 319.73 0.00e+00 4.899197e-02 3.360671e-03 2.137405e-03 -6.000000e+00 1.360719e-02 279.01 -2.00 20.00 -2.00 319.20 0.00e+00 10.068 0.019 302.00 328.00 3 -4.2148e-01 5.3012e-02 1.2311e-01 -6.0000e+00 7.5656e-01 2.9247e+00 6.0603e-02 1.0473e-01 -6.0000e+00 8.2150e-01 -2.5263e+00 3.1893e-02 2.3162e-02 -6.0000e+00 4.9006e-01 8.2753e-01 1.6096e-02 3.5873e-02 -6.0000e+00 2.0943e-01 6.8158e-06 -6.4646e-03 7.9200e-04 5.5627e-04 -6.0000e+00 1.5394e-02 2.6264e-03 -5.2709e-05 12 9 8 11 8 0 43.68 21.15 0.11 0.00263 -0.04595 16 4 1 5 0 3037.590 25.68 20.01 21.15 9.49 38.1 949.16 145704 150995 157247 147789 -57017 100972 53414 19535 67912 20085 -60189 13730 5826 47071 115724 89209 106329 147134 98139 136620 148944 111755 72586 19536 15680 1292 -47284 -48226 -1099 125845 25286 13025 61896 20453 39484 9220 135975 -20647 58894 -213 40091 9284 28243 -52346 -3596 -17284 33020 -11860 28708 -30462 75555 81445 105612 -7734 44866 -9196 19579 -18249 39681 -16719 -27000 -844 6740 -33878 64954 -10894 29385 69271 19509 23588 12832 4726 -11325 -9627 -43298 -28860 79269 3480 -30517 19189 -16549 -3437 79463 4783 -4609 -3810 14095 10527 16893 18254 -23032 16458 -29464 -12252 -3010 12474 -3872 1945 8197 8295 -3949 4834 -17852 254 -5060 -7088 -9093 23052 -6837 8841 6416 3722 -446 4187 467 -4806 949 -206 -349 4960 588 5756 8671 9378 8605 -3764 -3781 1996 543 231 -1746 -6685 -1253 -3936 -385 -3446 627 -153 5003 6360 -1550 -1390 29548 30621 28784 25836 -48993 15541 9541 3638 6444 2366 -13502 1852 1229 9392 15173 18138 19598 18732 19581 17929 14735 12861 9965 3341 2343 190 -9794 -9989 -166 7046 4516 3118 10622 4858 7015 1875 8492 -5414 7491 -47 6152 1931 5018 -19993 -861 -4926 6267 -3493 6202 -11634 11288 12004 13192 -2645 9058 -2761 4309 -5028 6089 -4489 -8004 -230 1946 -15579 12327 -4057 7831 12587 6223 7396 4560 1769 -4562 -3366 -18430 -10022 9731 928 -12873 6353 -8522 -1744 19894 2436 -2671 -2245 7071 5461 8025 8082 -14224 6911 -18364 -7031 -1859 7940 -3436 1784 7620 7562 -3749 3895 -16079 189 -4173 -6182 -8691 17565 -7558 9647 8094 5151 -653 5763 648 -6917 1331 -306 -542 7344 869 7592 10674 11074 10531 -4857 -4872 2708 885 436 -3782 -16545 -2987 -10313 -1039 -9914 1741 -432 13150 16344 -4000 -3338 SS 20241125T123907.3Z 9095.527168 234 1 48.56 2 83.32 125.52 41.84 181.61 0.00 1 0.00 1 0 25 4.534e-01 3.359e-02 1.693e-01 7.701e-03 9.132723e-01 4.455991e-03 1.131627e-02 -6.000000e+00 2.688041e-01 223.00 -2.00 3.52 -2.00 322.00 0.00e+00 3.948145e-02 2.283980e-03 4.130506e-03 -6.000000e+00 1.190136e-02 279.00 -2.00 20.00 -2.00 321.56 0.00e+00 7.829 0.009 302.00 328.00 3 4.0619e-01 1.5802e-02 1.0887e-01 -6.0000e+00 6.6122e-01 1.4670e+00 1.8563e-02 1.0647e-01 -6.0000e+00 7.1813e-01 -1.8622e+00 1.3341e-02 2.4263e-02 -6.0000e+00 4.2839e-01 7.6250e-01 6.8173e-03 3.6244e-02 -6.0000e+00 1.8295e-01 4.6610e-05 -4.1562e-03 2.0312e-04 4.9813e-04 -6.0000e+00 1.3464e-02 3.9209e-03 -1.7960e-04 12 8 8 10 0 0 21.25 21.16 0.19 0.00392 -0.02731 64 15 1 5 0 758.680 25.68 19.98 21.16 10.55 38.2 953.77 71170 90014 53566 47625 -134942 22580 -40472 -30634 -14827 -16928 -83165 7623 10055 28338 46613 100916 67650 148939 49902 146001 36995 232339 108366 30930 3463 17209 5936 47114 -15789 -35087 21971 56265 44724 119022 42099 50603 45547 55787 38170 45154 49266 56782 43693 20652 36546 48167 57011 58247 62775 28054 71521 88897 75913 43597 53980 28311 31738 7737 40886 15925 26474 29551 34685 16675 58606 25038 27746 21358 25977 22083 16450 12023 12468 3193 4979 -2852 17741 -6999 8180 4000 1096 -1460 681 -3817 1283 -5360 1938 -2109 818 -1301 -3289 -6112 -10463 -8712 -8164 -5436 -4520 -421 191 246 310 -1224 -6148 -3439 -4697 -5627 -5032 -417 -4001 -1413 -1233 -1561 -1313 -108 -1613 -1449 -698 1500 2254 2843 1721 2887 3360 4600 3496 3776 -1222 2059 2039 1956 1229 277 91 133 216 -392 -1262 128 366 -219 -960 -2722 2138 2396 1844 1593 -18784 617 -1519 -941 -334 -347 -3236 151 281 929 1655 2480 2540 2643 2350 2492 1667 1745 1775 929 118 470 174 933 -657 -2227 1035 2228 2229 2762 1868 1969 1897 2209 1928 2250 2421 2674 2476 1523 2395 2959 3386 3658 3985 2700 4882 5461 5545 4524 4901 3189 3293 961 3517 1794 2910 3611 4276 2796 7361 4011 4462 3809 4893 4781 3901 2949 2840 721 981 -555 2831 -1585 1935 1202 395 -613 277 -1698 573 -2663 926 -1059 394 -609 -1472 -2726 -4956 -4524 -5027 -3925 -3833 -397 191 242 282 -1000 -4844 -2690 -3956 -5012 -4848 -425 -4500 -1788 -1750 -2358 -2006 -160 -2366 -2108 -1048 2315 3620 4551 2671 4201 4717 6161 4628 4911 -1686 3096 3609 3696 2611 640 227 351 571 -1073 -3500 352 979 -587 -2408 -6490 SS 20241125T124932.4Z 9095.534403 237 1 48.23 2 81.74 127.40 42.00 185.44 0.00 1 0.00 1 0 17 5.333e-01 1.955e-02 9.458e-02 3.163e-03 8.105798e-01 1.801447e-03 9.572425e-03 -6.000000e+00 3.163038e-01 223.00 -2.00 3.52 -2.00 321.61 0.00e+00 1.597653e-02 9.425322e-04 2.537193e-03 -6.000000e+00 1.399903e-02 279.00 -2.00 20.00 -2.00 321.15 0.00e+00 6.539 0.005 302.00 328.00 3 6.1999e-01 6.3603e-03 7.8151e-02 -6.0000e+00 7.7807e-01 4.8253e-01 8.6462e-03 4.5047e-02 -6.0000e+00 8.4495e-01 -6.4964e-01 8.5143e-03 2.8004e-02 -6.0000e+00 5.0405e-01 2.6948e-01 3.9943e-03 1.8025e-02 -6.0000e+00 2.1534e-01 1.8124e-04 -1.8221e-03 8.9099e-05 2.6780e-04 -6.0000e+00 1.5837e-02 2.7837e-03 -1.3030e-04 12 8 8 10 0 0 35.63 21.17 0.15 0.00278 -0.01091 137 33 1 5 0 352.010 25.68 20.00 21.17 11.27 38.1 955.90 -141030 -165808 -144155 -146503 -290293 -176567 -152742 -156824 -121405 -164845 -155293 -126505 -106115 -109157 -59886 -38158 -13041 -20760 -22574 -3055 -31702 -19573 27519 -42303 -10324 -15802 -18862 -23911 -37017 -49746 2655 -7166 9643 24824 96 5483 3235 8949 12088 16935 22595 18618 24459 7743 14263 26977 25381 22499 24213 19084 25881 15347 31333 20327 17853 13981 9255 11486 12594 7278 10134 13328 16836 10963 13654 7952 9549 9577 7470 6822 5687 4961 3195 1129 1150 -2486 705 -3627 -1403 398 -783 -174 -2113 -2275 -1099 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