File name: Pandora64s1_NewHavenCT_20240216_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240217T051344.7Z 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_20240216_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: 20240216 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 20240216T123552.0Z 8812.524908 86 1 12.90 2 81.98 114.36 111.68 28.75 0.00 1 0.00 1 0 25 5.395e-01 4.207e-02 3.798e-01 2.304e-02 9.715129e-01 1.365840e-02 1.313791e-02 -6.000000e+00 3.255914e-01 224.92 -2.00 3.52 -2.00 321.90 0.00e+00 1.254038e-02 6.264162e-03 1.512582e-02 -6.000000e+00 1.450012e-02 275.05 -2.00 20.00 -2.00 321.43 0.00e+00 6.707 0.006 302.00 328.00 3 2.1123e+00 4.5855e-02 1.1434e-01 -6.0000e+00 8.0638e-01 1.4650e+00 5.6111e-02 1.0919e-01 -6.0000e+00 8.8104e-01 -1.7357e+00 4.4602e-02 4.3381e-02 -6.0000e+00 5.1921e-01 6.7497e-01 2.2363e-02 7.8480e-03 -6.0000e+00 2.1561e-01 2.2668e-05 -1.3042e-02 6.1363e-04 3.2695e-04 -6.0000e+00 1.6449e-02 2.0835e-02 -1.9077e-03 12 9 9 12 1 1 99.91 21.68 0.05 0.02084 -0.07717 4 5 1 5 0 2579.610 26.11 20.00 21.68 8.00 36.9 950.83 45560 -2122 6587 152046 -85079 900000 -117121 63215 34129 108494 -100320 900000 -49924 46824 20796 107385 63211 50491 39286 144591 33713 900000 900000 900000 27409 23351 -38863 6683 32681 -97827 -17269 22302 900000 61419 18423 101177 26613 -11685 117790 17236 205202 10329 171275 -12727 47639 19873 103713 11388 139446 -14196 175464 56024 138440 16185 82173 28461 70535 -8820 138439 -26145 43762 -6903 63641 20166 71484 -158 34692 45300 28753 7295 40082 16982 30479 9092 -12828 5995 31820 -1980 -5509 5772 429 -20208 4619 -8164 5405 -2172 7710 3177 5572 -3165 -6080 6132 -1725 -4826 -4850 1739 -6788 5474 -2547 -1393 -6337 221 -6501 -1421 -5136 -8617 -6297 5035 -4973 3700 -1048 1842 -2622 2489 -3303 -1799 20 1641 -154 4976 -2665 5253 3067 6010 1078 2011 -1891 4202 -338 -499 280 329 -55 -1378 2085 233 -1385 926 2439 -1867 -1212 -2428 1249 -90 255 3412 -5425 900000 -8713 1418 766 2434 -5923 900000 -2830 1342 933 2409 2206 2077 1763 3244 1387 900000 900000 900000 1049 894 -2471 258 1078 -12592 -1292 1279 900000 2675 1056 2671 1493 -1021 3576 1482 4604 964 3843 -1488 3207 1784 4380 1143 4601 -2112 5167 5238 6395 2389 6658 3731 6243 -1542 5847 -5033 4637 -1288 7060 3667 8465 -36 5858 7275 6112 2022 8757 4401 6767 2255 -3324 1232 5073 -486 -1594 1794 164 -10277 2068 -4360 2662 -1139 3953 1704 2851 -1669 -3097 2697 -842 -2718 -3078 1228 -6107 4995 -2551 -1345 -6215 179 -5189 -1100 -4379 -7936 -6136 4831 -5761 4536 -1517 2754 -3990 3708 -5066 -2684 30 2543 -242 7740 -4082 7339 4233 7772 1429 2594 -2548 5974 -565 -957 571 725 -130 -3408 5310 623 -3778 2478 6246 -4843 -2891 -5454 SS 20240216T124526.9Z 8812.531561 89 1 48.39 2 80.35 116.06 110.80 30.82 0.00 1 0.00 1 0 17 7.747e-01 1.313e-02 7.465e-02 1.635e-03 8.725726e-01 9.300650e-04 9.725436e-03 -6.000000e+00 4.631452e-01 224.92 -2.00 3.52 -2.00 321.46 0.00e+00 7.685200e-03 4.647791e-04 1.806802e-03 -6.000000e+00 2.001196e-02 275.05 -2.00 20.00 -2.00 321.03 0.00e+00 5.693 0.003 302.00 328.00 3 2.7577e-01 3.1707e-03 7.3763e-02 -6.0000e+00 1.1458e+00 2.3001e-01 4.7135e-03 4.8832e-02 -6.0000e+00 1.2431e+00 -2.8144e-01 5.2605e-03 2.9986e-02 -6.0000e+00 7.3870e-01 1.1200e-01 2.4506e-03 1.4397e-02 -6.0000e+00 3.1355e-01 5.4852e-04 -9.1965e-04 4.4413e-05 1.9040e-04 -6.0000e+00 2.3017e-02 -2.5830e-03 -7.9070e-05 12 8 8 10 0 0 14.66 21.69 0.18 -0.00258 -0.00949 306 74 1 5 0 158.100 26.11 19.98 21.69 8.36 37.0 953.41 -260786 -242581 -215331 -256799 -358796 -239560 -241088 -235738 -217842 -202728 -215508 -171949 -146509 -121081 -113585 -68866 -92743 -46569 -70061 -51743 -67317 -46980 -51423 -40083 -66622 -45353 -60764 -55612 -65572 -44875 -38933 -8252 -8204 -8400 -19756 -7704 -10029 -3877 341 3213 8406 8607 3120 4027 4745 6760 8064 9802 7648 4199 9808 11726 13685 10170 9217 6986 6717 4364 8100 4970 4765 5539 7928 9362 8600 3502 5532 3275 5001 4005 3126 2334 1344 151 1025 -1925 197 -2323 -400 -429 -1062 -1284 -1599 -2250 -764 -614 217 147 1191 385 151 -480 -1658 -1639 -936 -645 -654 831 933 -468 -658 -2289 -2713 -155 317 -1870 -783 -1049 -510 292 624 56 -105 -224 -652 -563 421 130 1120 1013 175 284 1176 778 1145 675 -1589 460 929 390 391 -590 -604 -250 465 -79 -602 648 441 -147 -83 -1150 -2161 -1933 -1407 -2415 -8110 -1871 -2075 -2142 -1840 -1616 -2198 -1480 -1354 -1177 -1340 -637 -1256 -453 -927 -602 -923 -532 -656 -492 -1126 -651 -1036 -913 -1296 -880 -925 -174 -203 -216 -551 -203 -309 -135 13 135 370 408 166 218 265 389 486 632 551 351 892 1176 1487 1253 1202 970 949 618 1079 691 713 861 1393 1842 1780 771 1262 822 1412 1291 1081 824 457 48 292 -521 53 -699 -141 -168 -490 -679 -917 -1380 -493 -415 151 103 812 251 93 -290 -1036 -1140 -704 -569 -671 892 1052 -520 -675 -2281 -2539 -147 317 -1994 -833 -1227 -674 408 965 91 -172 -358 -1010 -860 657 212 1880 1697 283 435 1734 1106 1688 976 -2370 705 1644 737 815 -1258 -1377 -575 1132 -199 -1537 1643 1087 -340 -190 -2511 SS 20240216T125318.0Z 8812.537014 94 1 48.35 2 79.03 117.47 110.04 32.49 0.00 1 0.00 1 0 17 6.172e-01 1.034e-02 4.503e-02 1.074e-03 7.893499e-01 6.007140e-04 8.888578e-03 -6.000000e+00 3.689871e-01 224.92 -2.00 3.52 -2.00 321.07 0.00e+00 3.940323e-03 2.712868e-04 1.617504e-03 -6.000000e+00 1.594288e-02 275.05 -2.00 20.00 -2.00 320.63 0.00e+00 5.068 0.002 302.00 328.00 3 2.4949e-01 1.9188e-03 6.5594e-02 -6.0000e+00 9.1282e-01 1.1596e-01 2.6887e-03 4.2799e-02 -6.0000e+00 9.9031e-01 -1.1968e-01 2.9312e-03 2.4985e-02 -6.0000e+00 5.8850e-01 4.1238e-02 1.4078e-03 1.0089e-02 -6.0000e+00 2.4983e-01 1.1222e-03 -6.5466e-04 2.9538e-05 1.2606e-04 -6.0000e+00 1.8335e-02 -2.6417e-03 -5.0426e-05 12 8 8 10 0 0 16.45 21.66 0.19 -0.00264 -0.00756 446 107 1 5 0 108.400 26.11 20.01 21.66 8.95 37.2 956.02 -238192 -180778 -212926 -185814 -288318 -185674 -208379 -171493 -185797 -147636 -176133 -123869 -115005 -91075 -78565 -44369 -62422 -38656 -45225 -36993 -42624 -39601 -27315 -39914 -39361 -31126 -33595 -30499 -25613 -33000 -12808 -14234 -38 -9489 -10426 -12126 -3483 -5095 -297 -2108 3822 50 5645 -1345 5271 2455 5842 2432 4516 1100 7465 6590 6474 5727 4900 2757 4556 1476 3016 2069 3874 4037 5233 5094 4099 1083 1574 -231 1997 2550 1301 1335 306 770 -821 -1956 -966 -2343 -1348 -321 -1181 -671 -1894 -1957 -964 -405 155 801 914 629 -125 -36 -1705 -704 -57 45 -439 1184 572 -313 -576 -1745 -2521 250 339 -1255 -587 -721 -490 494 738 246 -83 -79 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