File name: Pandora64s1_NewHavenCT_20231009_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231010T051826.1Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231009_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: 20231009 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 20231009T114718.9Z 8682.491191 228 1 49.25 2 81.53 106.13 27.79 134.84 0.00 1 0.00 1 0 25 3.761e-01 2.693e-02 1.240e-01 7.119e-03 8.027755e-01 4.075813e-03 9.684972e-03 -6.000000e+00 2.260736e-01 226.58 -2.00 3.52 -2.00 321.52 0.00e+00 1.131791e-02 2.030905e-03 4.047262e-03 -6.000000e+00 1.011145e-02 284.77 -2.00 20.00 -2.00 320.98 0.00e+00 6.388 0.005 302.00 328.00 3 2.1767e+00 1.4249e-02 7.7540e-02 -6.0000e+00 5.5951e-01 7.8848e-01 1.8012e-02 4.4334e-02 -6.0000e+00 6.0551e-01 -1.0321e+00 1.4208e-02 2.5499e-02 -6.0000e+00 3.6148e-01 4.2583e-01 6.8169e-03 1.0948e-02 -6.0000e+00 1.5412e-01 4.1079e-05 -2.8981e-03 1.9819e-04 2.0975e-04 -6.0000e+00 1.1181e-02 1.8879e-03 -1.9413e-04 12 8 8 10 0 0 98.28 21.03 0.13 0.00189 -0.01989 23 6 1 5 0 2141.130 25.68 19.99 21.03 15.53 37.4 972.61 -129744 -60619 -92611 -55261 -134813 -87002 -138531 -137783 -24913 -72627 -152046 -72921 -96770 -2338 -2216 1839 -35052 15819 -38569 10920 6324 78467 11000 2136 -6124 -9028 -31650 -31768 -6095 -82143 -15788 16133 26077 49649 24234 12358 41930 33352 58107 31558 55201 12073 37099 -6859 24106 18744 43979 24373 29342 -6244 48269 32407 32809 13255 38971 17037 28215 10711 32368 8611 20533 13840 18795 17476 32214 5095 13067 14418 11798 7871 12515 9557 7340 555 2906 -3447 12553 -3229 -2306 1676 -2653 -2209 -5056 -3157 -599 -2648 1741 -414 940 1079 -3593 2025 -6621 -4950 -2658 -675 -5414 -1139 -310 -2018 -3533 -1388 -5364 -1276 -2399 -3537 -4088 431 -1456 -221 136 167 -452 878 -418 -876 199 626 1127 1930 308 1962 2201 3297 3121 1958 -923 1551 1132 1533 1108 -210 13 -666 570 296 -579 80 677 -1038 -866 -2438 -5704 -1510 -3177 -1151 -5450 -2061 -5431 -5457 -346 -1639 -7388 -1935 -4228 -54 -62 54 -1617 501 -2016 370 214 1226 339 72 -223 -337 -1357 -1323 -217 -6809 -825 705 1161 1853 1083 595 1746 1736 2748 2062 3043 1070 2651 -765 1998 1676 3143 2229 2696 -838 4435 3811 4126 2040 5013 2615 3852 1681 4177 1332 2985 2413 3537 3714 6063 1242 3039 3481 3290 2556 4088 3069 2418 180 828 -956 2943 -955 -797 628 -1202 -1132 -2867 -1857 -367 -1732 1130 -277 611 665 -2176 1121 -4028 -3250 -1885 -550 -5359 -1170 -333 -2149 -3724 -1285 -4846 -1148 -2328 -3631 -4560 478 -1856 -316 204 262 -714 1333 -619 -1286 298 977 1838 3143 492 2950 3361 4790 4422 2741 -1330 2418 1945 2946 2251 -461 30 -1602 1443 773 -1481 204 1751 -2565 -2005 -5642 SS 20231009T120132.1Z 8682.501066 233 1 48.29 2 78.98 108.62 26.07 141.02 0.00 1 0.00 1 0 25 4.384e-01 9.116e-03 3.308e-02 1.032e-03 6.738379e-01 5.738381e-04 7.742823e-03 -6.000000e+00 2.636970e-01 226.58 -2.00 3.52 -2.00 320.75 0.00e+00 2.736563e-03 2.513808e-04 1.119310e-03 -6.000000e+00 1.178633e-02 284.76 -2.00 20.00 -2.00 320.15 0.00e+00 5.044 0.002 302.00 328.00 3 3.5535e-01 1.8385e-03 6.1578e-02 -6.0000e+00 6.5264e-01 4.8192e-02 2.4336e-03 3.6020e-02 -6.0000e+00 7.0615e-01 -5.4370e-02 2.3409e-03 1.9307e-02 -6.0000e+00 4.2157e-01 1.5437e-02 1.1399e-03 6.6974e-03 -6.0000e+00 1.7985e-01 1.1932e-03 -8.4390e-04 2.9751e-05 8.3691e-05 -6.0000e+00 1.3034e-02 7.6624e-04 -7.8865e-05 11 8 0 10 0 0 81.84 21.07 0.17 0.00077 -0.00558 392 94 1 5 0 123.170 25.68 20.00 21.07 16.08 37.5 975.75 -171407 -128386 -150372 -133334 -220219 -138349 -151688 -124802 -122577 -105605 -112877 -91847 -72015 -59973 -41498 -36235 -30138 -34619 -22014 -26835 -19552 -25379 -11964 -25299 -11934 -23792 -8609 -24451 -9094 -25446 172 -5459 4714 -7218 421 -9064 3469 -4818 6149 231 5484 302 5543 -219 5180 1500 5260 1979 3976 973 5330 3885 4374 2987 2657 1819 2457 875 1783 922 2050 1856 2657 3485 2037 -485 675 -51 1383 2057 762 897 -56 152 -685 -1239 -1353 -2071 -822 -216 -1647 -519 -2324 -1806 -898 -274 138 468 1134 942 198 577 -1079 -172 398 203 -413 955 505 -297 -512 -1673 -2270 152 135 -1352 -611 -725 -217 266 825 342 254 203 -190 -325 415 -175 681 403 -170 -255 742 192 1140 478 -1240 330 1006 179 426 -591 -504 -482 459 -189 -448 363 451 -241 228 -685 -1950 -1073 -1665 -1181 -4071 -1309 -1832 -1319 -1431 -1138 -1432 -1165 -971 -918 -660 -646 -567 -763 -459 -624 -431 -608 -273 -723 -320 -757 -237 -780 -260 -986 6 -222 200 -353 19 -472 184 -335 467 22 540 34 615 -26 605 188 655 269 564 143 851 697 856 645 603 435 595 213 421 223 523 533 855 1134 683 -165 234 -19 572 953 381 456 -28 70 -291 -487 -524 -860 -392 -120 -995 -350 -1715 -1412 -748 -223 116 396 942 795 158 440 -834 -142 350 206 -451 1155 637 -366 -587 -1876 -2445 168 149 -1582 -762 -977 -304 413 1303 557 410 315 -298 -503 655 -275 1113 668 -275 -398 1181 294 1681 688 -1809 520 1678 315 813 -1202 -1029 -1048 1004 -427 -1034 839 1021 -547 488 -1412 SS 20231009T120706.2Z 8682.504932 236 1 48.31 2 78.00 109.61 25.45 143.63 0.00 1 0.00 1 0 33 2.984e-01 7.745e-03 2.515e-02 8.075e-04 6.309652e-01 4.449214e-04 7.299499e-03 -6.000000e+00 1.794645e-01 226.58 -2.00 3.52 -2.00 320.45 0.00e+00 2.018487e-03 1.776592e-04 8.733385e-04 -6.000000e+00 8.021799e-03 284.76 -2.00 20.00 -2.00 319.84 0.00e+00 4.661 0.002 302.00 328.00 3 3.1384e-01 1.3719e-03 5.7127e-02 -6.0000e+00 4.4417e-01 3.2879e-02 1.7561e-03 3.3511e-02 -6.0000e+00 4.8059e-01 -2.2180e-02 1.6434e-03 1.7472e-02 -6.0000e+00 2.8691e-01 -7.6490e-04 8.1836e-04 5.6866e-03 -6.0000e+00 1.2239e-01 1.8625e-03 -8.1712e-04 2.3573e-05 7.0274e-05 -6.0000e+00 8.8709e-03 9.1226e-04 -8.4792e-05 11 8 0 10 0 0 -5.65 21.07 0.17 0.00091 -0.00523 526 127 1 5 0 91.840 25.68 20.00 21.07 16.48 37.5 978.10 -113798 -91151 -101966 -98721 -161843 -92079 -99209 -77922 -90089 -65517 -84376 -40341 -51973 -28079 -25555 -17681 -22503 -6402 -18250 -4535 -17273 -11021 -12795 -7151 -14314 -6753 -12510 -9066 -14836 -10120 -3733 997 256 -144 -7551 -4312 -2678 -401 1141 1665 705 396 2279 618 1684 1522 1676 1909 1600 853 3580 -3627 2569 1715 1246 934 1646 493 554 111 1146 1796 2611 3375 1767 -636 934 -970 1382 1561 647 582 -6 -51 21 -1463 -690 -2208 -606 -524 -1112 -594 -1761 -1874 -374 -296 340 422 1209 681 482 462 -649 -152 606 141 -432 1137 591 -421 -520 -1676 -2078 140 105 -1490 -540 -807 -264 477 769 370 195 189 -186 -120 426 -156 635 330 -359 -413 662 243 1039 581 -1321 389 897 233 347 -585 -616 -337 398 -219 -486 394 335 -163 267 -546 -1111 -797 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