File name: Pandora64s1_NewHavenCT_20240912_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240913T045848.4Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240912_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: 20240912 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 20240912T111126.1Z 9021.466274 59 1 48.38 2 82.99 90.98 165.84 328.99 0.00 1 0.00 1 0 25 1.295e+00 1.793e-01 2.429e-01 1.942e-02 9.392825e-01 1.125600e-02 1.778244e-02 -6.000000e+00 7.889990e-01 229.42 -2.00 3.52 -2.00 320.70 0.00e+00 1.716377e-01 3.634348e-03 1.490630e-02 -6.000000e+00 3.561780e-02 287.84 -2.00 20.00 -2.00 320.10 0.00e+00 7.511 0.008 302.00 328.00 3 3.3725e-01 3.2037e-02 2.3861e-01 -6.0000e+00 1.9630e+00 4.0318e+00 3.5917e-02 3.9095e-01 -6.0000e+00 2.1182e+00 -2.3175e+00 2.0397e-02 3.0674e-02 -6.0000e+00 1.2641e+00 3.4897e-01 1.0500e-02 1.5494e-01 -6.0000e+00 5.3799e-01 1.1499e-05 -2.5472e-03 4.0847e-04 2.3697e-03 -6.0000e+00 3.8535e-02 2.2223e-04 2.1315e-04 12 8 8 10 0 0 80.53 21.32 0.31 0.00022 -0.01892 13 3 1 5 0 3721.400 25.79 19.99 21.32 19.95 39.7 994.40 221203 262372 272724 292720 25726 223464 82861 35819 -64901 -14778 -193279 -29213 -40786 78911 149266 191326 196298 333976 202875 399929 266941 540386 238667 900000 7570 83978 -75389 -11994 17468 -5958 134244 221510 308294 254414 157936 229057 205051 87301 88145 48815 156293 76202 135917 40551 120403 158434 236539 167480 263595 86506 209982 -90043 281042 103316 162867 65571 103781 27025 128158 46832 106434 101779 145725 73067 184240 99824 117656 150829 97522 82525 87417 66644 62345 28887 35920 17980 94305 42371 49712 59250 46718 41055 42995 42111 37552 24022 36344 20760 35622 31785 16591 18517 -9461 -1903 6225 29688 18088 28573 25698 21767 13897 13690 -5094 -536 -12376 -9967 -9338 12291 -8894 1995 625 -593 -8990 -4527 -10296 -8825 -4244 -4568 -4498 -100 -7743 -4171 -7275 -2118 -10585 -9006 -16848 -4533 -4022 -1253 -2659 491 1211 -571 -312 -819 1012 1589 5358 3215 3645 2604 18384 20150 22092 18260 13567 9957 6092 1795 -4482 -402 -24603 -1302 -4977 7559 13634 18115 22303 13044 26892 7573 13975 10233 6214 900000 447 1789 -7474 -882 1654 -1291 14056 14681 10216 13851 17065 10573 9950 10308 8248 5764 6104 6944 8365 7679 13009 15563 12878 19775 13415 23571 19136 -129928 12418 21176 15421 11906 11054 5118 9556 8764 13753 17459 19804 22753 22459 26020 24901 21673 24116 24360 23370 19969 16876 9235 9123 4927 13059 10808 15283 20724 19905 19911 20535 19803 18370 13369 17932 11837 17051 14780 8099 8123 -5335 -1091 4001 18927 15870 26603 24921 21087 13641 11233 -4336 -420 -11210 -9091 -9185 10836 -10558 2439 859 -855 -13907 -6452 -14992 -12674 -6159 -7044 -7248 -152 -12023 -5824 -9984 -2628 -13830 -11391 -23407 -6393 -6794 -2394 -5524 1073 2819 -1441 -832 -2266 2784 4435 14286 8328 8870 6054 SS 20240912T113903.5Z 9021.485458 73 1 48.06 2 77.82 95.60 167.45 353.02 0.00 1 0.00 1 0 25 3.261e-01 1.684e-02 7.011e-02 2.843e-03 6.199567e-01 1.583194e-03 7.605995e-03 -6.000000e+00 1.981676e-01 229.42 -2.00 3.52 -2.00 320.53 0.00e+00 7.230669e-03 6.393463e-04 3.153910e-03 -6.000000e+00 8.881356e-03 287.84 -2.00 20.00 -2.00 319.87 0.00e+00 4.597 0.002 302.00 328.00 3 2.6949e+00 4.9477e-03 5.7467e-02 -6.0000e+00 4.9324e-01 1.5737e-01 6.1958e-03 3.5071e-02 -6.0000e+00 5.3238e-01 -1.6770e-01 5.3793e-03 1.9599e-02 -6.0000e+00 3.1769e-01 6.4777e-02 2.6872e-03 7.4554e-03 -6.0000e+00 1.3508e-01 1.7513e-04 -1.0078e-03 8.3562e-05 1.2198e-04 -6.0000e+00 9.7023e-03 3.9257e-03 -6.2055e-05 12 8 8 10 0 0 79.56 21.32 0.19 0.00393 -0.00365 46 11 1 5 0 1044.680 25.79 19.99 21.32 20.79 39.6 997.94 -82032 -103157 -72774 -85763 -251142 -112430 -86405 -93861 -31861 -56195 -75697 -67506 -34998 -37903 -10759 -27652 10331 2792 -4722 -13001 4966 -1341 12673 -3193 6092 -9342 -3433 -4074 10641 -36372 9592 781 16252 7194 3639 -810 5674 -3076 9019 2671 7446 5598 7569 513 6105 6952 7238 6431 8098 192 8659 5512 9270 6356 5231 2836 3389 2205 3948 1733 2155 4912 3492 4618 5267 2383 3414 1499 1642 2209 -111 1986 -234 328 -1241 -1284 46 -2813 -2256 430 -1939 -783 -2886 -2380 -1879 -904 -487 -26 684 408 -731 -192 -3197 -862 -733 -89 -535 1035 524 -526 -719 -1698 -2626 -224 14 -2163 -666 -73 -773 501 1024 379 121 232 -295 -753 436 -69 1011 757 622 261 1526 812 1612 695 -1050 819 1148 120 731 -789 -546 -421 619 -356 -425 252 556 -507 -210 -1198 -930 -1612 -880 -1102 -14560 -1813 -1154 -1490 -327 -708 -1240 -1242 -600 -850 -228 -808 229 74 -143 -449 144 -42 361 -113 204 -379 -131 -155 365 -2282 457 47 946 464 234 -58 430 -277 862 313 905 737 1028 76 884 1028 1097 1028 1337 37 1724 1241 2178 1523 1310 751 903 585 1014 464 615 1524 1232 1764 2012 914 1322 620 766 1149 -58 1037 -120 169 -591 -561 20 -1291 -1191 240 -1265 -568 -2281 -1987 -1564 -784 -438 -24 606 343 -622 -154 -2624 -742 -668 -92 -595 1268 669 -655 -834 -1929 -2886 -253 16 -2598 -844 -99 -1095 774 1696 608 191 370 -451 -1136 669 -111 1702 1222 1040 422 2372 1214 2318 975 -1489 1242 1943 213 1392 -1516 -1103 -902 1328 -793 -963 573 1236 -1082 -447 -2460 SS 20240912T114501.6Z 9021.489602 76 1 48.21 2 76.70 96.62 167.53 358.73 0.00 1 0.00 1 0 25 2.416e-01 9.889e-03 4.857e-02 2.345e-03 5.811428e-01 1.299957e-03 6.832645e-03 -6.000000e+00 1.474748e-01 229.42 -2.00 3.52 -2.00 320.24 0.00e+00 1.344979e-03 4.773190e-04 1.656917e-03 -6.000000e+00 6.701696e-03 287.84 -2.00 20.00 -2.00 319.54 0.00e+00 4.238 0.001 302.00 328.00 3 2.8114e+00 3.9463e-03 5.2796e-02 -6.0000e+00 3.6664e-01 6.7081e-02 4.8976e-03 3.2075e-02 -6.0000e+00 3.9578e-01 -5.3090e-02 4.1943e-03 1.5825e-02 -6.0000e+00 2.3577e-01 1.3134e-02 2.1132e-03 4.3846e-03 -6.0000e+00 1.0010e-01 2.3635e-04 -6.9945e-04 7.0746e-05 6.3371e-05 -6.0000e+00 7.1919e-03 3.7873e-03 -5.2763e-05 12 9 8 11 8 0 72.22 21.32 0.14 0.00379 -0.00147 52 13 1 5 0 927.040 25.79 20.00 21.32 20.98 39.6 998.82 -73793 -93220 -68512 -101165 900000 -110647 -97710 -99281 -43546 -61299 -47647 -53095 -37996 -35743 -23872 -15061 -16411 -19549 -11010 -13799 -20437 -2236 -8070 -7365 -7096 -9579 -12676 -15934 -8062 -24448 -8705 -3003 -1163 -411 -10296 -5978 -3533 -3636 4131 2066 2143 2868 1730 -1715 623 1862 922 1671 -921 -2969 3633 7314 4689 3190 2555 1933 1480 1041 1954 2103 213 2532 2853 3317 2686 -652 161 409 993 2759 679 1136 -555 134 -631 -1787 -765 -2450 -1210 -365 -2145 -1403 -2068 -2383 -612 -799 242 313 1717 645 354 -488 -1467 -663 557 246 -357 1383 820 -742 -551 -2324 -2597 25 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