File name: Pandora64s1_NewHavenCT_20240416_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240417T045810.7Z 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_20240416_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: 20240416 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 20240416T111624.2Z 8872.469724 148 1 48.55 2 78.48 86.22 115.24 353.08 0.00 1 0.00 1 0 17 5.693e-01 1.583e-02 8.537e-02 2.059e-03 8.046405e-01 1.168063e-03 9.306749e-03 -6.000000e+00 3.451624e-01 228.71 -2.00 3.52 -2.00 321.13 0.00e+00 8.730293e-03 5.555925e-04 2.788296e-03 -6.000000e+00 1.502560e-02 280.31 -2.00 20.00 -2.00 320.63 0.00e+00 4.844 0.002 302.00 328.00 3 1.6312e+00 3.8838e-03 6.5531e-02 -6.0000e+00 8.5990e-01 2.1681e-01 5.3424e-03 4.4429e-02 -6.0000e+00 9.2967e-01 -2.6914e-01 5.4594e-03 2.7882e-02 -6.0000e+00 5.5253e-01 1.0723e-01 2.5901e-03 1.3370e-02 -6.0000e+00 2.3373e-01 3.2003e-04 -9.6001e-04 5.6150e-05 1.8480e-04 -6.0000e+00 1.6933e-02 -4.6680e-04 -5.9694e-05 12 8 8 10 0 0 92.45 21.42 0.15 -0.00047 -0.00768 112 27 1 5 0 433.440 25.90 19.99 21.42 16.18 38.2 994.57 -183246 -169794 -153065 -168742 -337467 -169306 -201913 -179952 -158712 -89588 -156151 -111790 -95132 -89682 -51546 -46695 -47143 -7009 -36639 -37079 -25987 -7897 9286 -15263 -16577 -35526 -25688 -33373 -29316 -45919 -10840 -12383 11115 76 16270 -11087 8674 1866 10163 948 6945 7237 10110 3264 11751 9340 14192 10984 12411 3795 16631 8830 15873 9430 8995 4843 6205 2292 6122 3161 4063 5847 5719 8724 8473 2685 5565 3447 4365 2769 1562 1489 306 439 -830 -1587 258 -1961 -282 13 -1038 -1521 -2187 -2289 -1515 -1122 -155 185 986 630 -728 174 -1944 -1670 -930 -233 -1005 678 295 -309 -510 -1660 -2524 -202 -204 -1788 -1114 -603 -796 222 580 -131 -183 -46 -404 -364 512 445 981 1061 252 385 1292 838 1460 975 -1335 684 1121 385 590 -559 -587 -394 510 -271 -413 388 394 -165 -137 -1256 -1545 -1432 -1168 -1423 -13241 -1393 -2472 -1951 -1529 -468 -1755 -1032 -1012 -1206 -611 -637 -738 -83 -625 -670 -423 -108 114 -254 -293 -792 -526 -744 -677 -1366 -287 -395 327 3 451 -429 313 86 521 62 470 524 755 268 920 782 1191 1024 1129 418 1836 1174 2159 1486 1484 863 1104 416 1047 565 773 1239 1392 2315 2327 721 1519 1023 1464 1064 645 624 124 165 -285 -506 81 -681 -114 6 -543 -910 -1418 -1577 -1108 -858 -122 146 759 462 -508 117 -1343 -1266 -758 -220 -1107 780 357 -364 -557 -1753 -2531 -205 -220 -2053 -1283 -753 -1119 328 940 -209 -292 -75 -637 -566 813 737 1595 1726 422 612 1977 1235 2079 1358 -1907 1063 1878 727 1157 -1179 -1252 -896 1223 -641 -988 928 916 -381 -298 -2741 SS 20240416T112141.6Z 8872.473398 151 1 48.79 2 77.49 87.08 115.36 354.36 0.00 1 0.00 1 0 25 4.685e-01 2.618e-02 1.885e-01 7.212e-03 7.475793e-01 4.094174e-03 8.989407e-03 -6.000000e+00 2.835107e-01 228.71 -2.00 3.52 -2.00 321.15 0.00e+00 1.187472e-02 1.829030e-03 3.365736e-03 -6.000000e+00 1.237162e-02 280.31 -2.00 20.00 -2.00 320.63 0.00e+00 4.487 0.002 302.00 328.00 3 4.0042e+00 1.3304e-02 6.0877e-02 -6.0000e+00 7.0623e-01 4.8732e-01 1.6893e-02 4.0804e-02 -6.0000e+00 7.6403e-01 -6.0191e-01 1.4928e-02 2.4726e-02 -6.0000e+00 4.5406e-01 2.4633e-01 7.2442e-03 1.1808e-02 -6.0000e+00 1.9171e-01 4.1039e-05 -3.1714e-03 2.0498e-04 1.9393e-04 -6.0000e+00 1.3937e-02 4.4526e-03 -3.6959e-04 12 8 8 10 0 0 99.85 21.42 0.05 0.00445 -0.01938 20 5 1 5 0 2439.100 25.90 20.00 21.42 16.48 38.2 996.00 -134732 -126756 -131699 -81983 -182748 -164894 -147321 -129405 6797 -69067 -164553 -5735 -113167 -51064 -76556 2723 -35584 25827 -25881 22875 29754 98236 202515 28931 -13326 8753 -20134 -34182 -29509 -87386 1192 -3138 5700 6149 12480 32868 44353 -1442 48779 20239 45776 17296 40371 -6656 24556 15003 30680 28979 20331 -16642 29580 34254 39958 7997 19602 2176 17493 2997 19581 -529 10245 4833 13916 13308 18830 2208 5844 8589 7295 4841 8317 4188 3320 -3430 -2715 -1438 7680 -3829 -243 2976 -1412 -12365 -2964 -1848 -1767 -211 -1451 -1533 1100 2492 -4055 922 -7201 -4570 -2095 528 -2241 1195 246 -549 -2250 -358 -5274 -775 -1909 -2974 -2224 3100 -1603 1264 1348 720 -258 809 -1071 -1660 -148 577 418 1376 -431 2047 2223 2070 3429 1392 -2197 871 1540 326 632 -1227 -733 236 868 -326 300 82 1347 -853 -974 -2303 -3400 -3251 -3650 -1333 -6955 -5116 -4144 -3185 48 -1069 -6194 -62 -4166 -1392 -3167 63 -1266 579 -953 563 667 1151 1424 661 -469 250 -761 -1472 -1284 -7483 55 -165 311 336 604 1430 1910 -107 2583 1616 3049 1617 3140 -796 2336 1620 2932 2973 2405 -2926 3663 4430 5261 1547 3454 465 3205 617 3328 -111 2065 1156 3442 3671 5010 647 1700 2553 2476 1883 3294 1744 1328 -1358 -963 -487 2346 -1334 -96 1344 -767 -8035 -1876 -1222 -1246 -153 -1108 -1180 811 1715 -2789 609 -4904 -3301 -1702 486 -2322 1351 293 -640 -2469 -364 -5302 -775 -2053 -3210 -2562 3671 -2223 1823 2123 1179 -424 1269 -1640 -2513 -227 918 697 2289 -707 3128 3289 3076 4877 1963 -3201 1293 2585 590 1243 -2606 -1573 533 2070 -809 747 205 3260 -1987 -2138 -5052 SS 20240416T112649.6Z 8872.476963 154 1 18.57 2 76.52 87.92 115.45 355.60 0.00 1 0.00 1 0 25 7.835e-01 5.375e-02 2.559e-01 9.825e-03 6.710892e-01 5.442780e-03 1.066794e-02 -6.000000e+00 4.757852e-01 228.71 -2.00 3.52 -2.00 320.72 0.00e+00 5.916217e-02 2.148617e-03 5.805782e-03 -6.000000e+00 2.069501e-02 280.31 -2.00 20.00 -2.00 320.21 0.00e+00 4.188 0.001 302.00 328.00 3 3.8149e+00 1.6546e-02 5.6790e-02 -6.0000e+00 1.1854e+00 9.4651e-01 1.9065e-02 6.1824e-02 -6.0000e+00 1.2807e+00 -1.1350e+00 1.4336e-02 3.7364e-02 -6.0000e+00 7.6116e-01 4.8236e-01 7.3648e-03 5.0565e-02 -6.0000e+00 3.2265e-01 5.5323e-05 -1.3422e-03 2.6347e-04 7.6633e-04 -6.0000e+00 2.3282e-02 -7.7299e-03 1.5627e-04 12 9 9 12 9 1 89.85 21.42 -0.21 -0.00773 -0.01782 4 3 1 5 0 3712.980 25.90 20.00 21.42 16.81 38.2 997.11 236346 164930 150574 230349 -118656 322593 19271 57292 37270 107675 -57094 153796 -13022 175419 63344 163241 113339 263545 105212 200320 130225 243695 249184 132674 32890 90335 14248 117049 53950 9638 70105 117016 80519 126980 78506 134644 79567 81203 63003 39420 49080 50247 29943 30072 48170 55801 60159 64494 71988 31189 59860 -64655 67623 36703 31696 8036 16110 -1093 6524 9843 21603 19693 22680 30677 36387 18235 18254 13745 13629 8093 14171 2675 3305 -4617 -5634 -6372 4445 -3839 -4544 1333 78 -7651 -1953 -3147 -4275 -4239 -1828 -3665 518 -1903 -3486 -3413 -10033 -8642 -6290 -3452 -2580 3178 3149 2581 806 1482 -3743 -2104 -3498 -3912 -3866 420 -2010 90 484 229 -1686 9 -2026 -2348 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