File name: Pandora64s1_NewHavenCT_20241219_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241220T045347.2Z 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_20241219_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: 20241219 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 20241219T124905.5Z 9119.534091 294 1 48.95 2 85.26 127.14 59.91 267.25 0.00 1 0.00 1 0 33 8.906e-01 9.150e-02 2.891e-01 3.328e-02 9.822739e-01 1.972350e-02 1.393071e-02 -6.000000e+00 5.292127e-01 222.87 -2.00 3.52 -2.00 320.85 0.00e+00 5.838672e-02 5.061620e-03 4.907952e-03 -6.000000e+00 2.344810e-02 276.58 -2.00 20.00 -2.00 320.45 0.00e+00 10.228 0.020 302.00 328.00 3 -5.1402e-01 5.7994e-02 1.3943e-01 -6.0000e+00 1.3015e+00 2.8946e+00 6.5413e-02 1.4465e-01 -6.0000e+00 1.4137e+00 -2.7140e+00 3.3817e-02 2.3694e-02 -6.0000e+00 8.4237e-01 9.4650e-01 1.8678e-02 4.9851e-02 -6.0000e+00 3.5980e-01 6.4494e-06 -6.9791e-03 8.0875e-04 7.3512e-04 -6.0000e+00 2.6451e-02 -2.2733e-04 -2.4550e-05 12 8 8 10 0 0 45.95 21.15 0.48 -0.00023 -0.05267 18 4 1 5 0 2718.900 25.68 20.01 21.15 10.33 38.5 954.99 270240 239447 263039 245932 -32278 194140 93747 41913 367770 86743 -32137 133421 67991 83177 205410 135717 156515 152109 137089 158767 188600 900000 368759 900000 53388 64230 36297 -23654 261 -89418 66121 18895 108073 49651 63902 186637 80400 22502 48481 27604 13958 35920 12113 -52922 16690 36806 75978 37005 46454 -14094 109062 1320 282339 21377 18993 -11024 1651 -8122 64029 68894 -46420 10203 26692 -16556 125790 7274 39166 87433 19429 41128 55118 23974 6080 -14904 -14025 -25267 67502 22361 -13315 21687 -1656 -16666 -10856 4888 937 -9563 4557 583 6974 20961 -21885 5050 -33492 -12136 -2123 19218 -17068 9307 9917 4769 1417 5729 -17846 -4450 -10017 -12010 -9973 31786 -5514 7913 5985 573 128 2978 -1808 -9577 -1657 2229 -5073 6400 3393 9336 7255 8038 5658 -2984 -5100 4664 2741 -288 745 -3743 82 -2648 1024 -563 1880 -1195 3841 -1468 -2334 -59 18048 23302 19575 17833 -23454 12225 10912 5678 11930 4304 -4599 4599 6357 9999 10411 15797 16128 17125 17265 14542 11471 900000 11962 900000 4221 3776 2576 -2889 28 -28523 6837 3569 9860 7485 7514 6054 6683 3239 5308 3694 2094 4297 1916 -15653 2707 5149 7548 5777 6875 -3738 9508 332 9159 4405 3966 -2650 338 -1663 5971 6146 -13198 1986 5087 -5213 11425 1874 7861 10990 5121 9506 11287 6513 1705 -4550 -3924 -7018 7737 4125 -4238 5980 -632 -8332 -5469 2154 445 -5183 2191 293 3220 7999 -11860 1985 -19301 -6183 -1163 10341 -14918 7743 8950 4486 1277 4329 -15119 -3235 -8105 -10290 -9002 20865 -5674 8272 7248 788 181 4036 -2502 -14153 -2341 3181 -8154 9250 4830 11777 8969 10108 7082 -3808 -6645 6144 4382 -553 1596 -9162 208 -6989 2778 -1607 5264 -3477 10435 -3949 -6188 -142 SS 20241219T130057.3Z 9119.542330 297 1 48.65 2 83.51 129.23 62.11 269.15 0.00 1 0.00 1 0 33 7.447e-01 3.654e-02 2.763e-01 9.768e-03 9.277795e-01 5.735134e-03 1.107434e-02 -6.000000e+00 4.420452e-01 222.87 -2.00 3.52 -2.00 322.09 0.00e+00 4.745585e-02 3.001407e-03 1.009485e-02 -6.000000e+00 1.941809e-02 276.58 -2.00 20.00 -2.00 321.68 0.00e+00 8.026 0.010 302.00 328.00 3 4.4502e-01 2.0636e-02 1.3477e-01 -6.0000e+00 1.0876e+00 1.6194e+00 2.3541e-02 1.5066e-01 -6.0000e+00 1.1810e+00 -2.0252e+00 1.6764e-02 2.4102e-02 -6.0000e+00 7.0376e-01 8.2969e-01 8.6691e-03 4.5469e-02 -6.0000e+00 3.0079e-01 3.4473e-05 -4.7499e-03 2.6145e-04 5.1792e-04 -6.0000e+00 2.2118e-02 -6.8912e-04 -8.0915e-05 12 8 8 10 0 0 97.31 21.15 0.22 -0.00069 -0.03638 65 16 1 5 0 748.320 25.68 20.01 21.15 10.60 38.6 956.44 84870 130487 105340 191266 -109702 73947 -14782 52891 336973 38041 -60168 29390 64984 79609 62401 151312 89904 412350 102019 160772 139623 900000 154453 99256 71021 64047 -34174 61951 95145 -31126 88283 78233 94928 167912 110953 81162 129350 54752 120982 79809 101581 46757 62623 420 60624 37715 82654 58336 71711 14154 90560 82940 129485 38513 55464 43625 25819 7139 42816 11101 29018 18381 41124 15642 62004 20003 36837 26057 24677 23135 23437 12551 11013 10613 8956 4282 25922 -1168 152 6584 8338 -2230 925 -1192 356 -3030 2315 713 4825 3851 -3679 -4039 -13847 -9613 -10921 -4380 -5635 -70 424 -421 478 1041 -7900 -1544 -4567 -7515 -7268 -744 -4277 -2264 -2166 -2322 -1472 -829 -2255 -1969 224 1037 1587 2981 2915 3351 3938 6042 4373 3876 -2218 1444 1304 2377 2157 491 229 349 669 -1005 -1119 142 574 -456 -925 -3164 2984 3154 3241 2277 -17610 1702 -574 881 3209 513 -2053 513 1186 1832 2278 2762 3353 3927 3562 2934 2770 900000 1838 1654 1296 1118 -1519 1082 1359 -1847 2312 2732 3164 2665 2729 2512 2464 2259 2688 2787 2902 2375 2882 35 3127 2604 3870 3750 4268 1472 5174 5463 5549 3865 4886 4085 2515 784 3432 1155 2971 2222 4609 2589 6813 3326 5316 4333 4555 4796 5013 2960 2461 2146 1633 743 3627 -237 37 1847 2687 -843 364 -499 155 -1418 1063 336 2163 1666 -1606 -1706 -6518 -4813 -6611 -3012 -4680 -60 391 -387 404 827 -6228 -1151 -3731 -6614 -6464 -687 -4686 -2815 -3040 -3484 -2226 -1229 -3303 -2853 330 1594 2545 4746 4456 4829 5453 7928 5694 5010 -3060 2154 2298 4466 4552 1141 570 928 1776 -2796 -3132 394 1552 -1239 -2340 -7622 SS 20241219T131130.7Z 9119.549661 300 1 48.29 2 82.00 131.14 64.07 270.80 0.00 1 0.00 1 0 25 5.355e-01 2.023e-02 1.383e-01 3.251e-03 8.247206e-01 1.840570e-03 9.371763e-03 -6.000000e+00 3.175509e-01 222.87 -2.00 3.52 -2.00 321.67 0.00e+00 1.640151e-02 9.628523e-04 1.018624e-03 -6.000000e+00 1.391601e-02 276.58 -2.00 20.00 -2.00 321.23 0.00e+00 6.721 0.006 302.00 328.00 3 4.6285e-01 6.4397e-03 8.1145e-02 -6.0000e+00 7.8158e-01 5.3106e-01 8.8357e-03 5.0658e-02 -6.0000e+00 8.4902e-01 -7.0230e-01 8.9527e-03 2.6382e-02 -6.0000e+00 5.0579e-01 2.8975e-01 4.2063e-03 1.8134e-02 -6.0000e+00 2.1581e-01 1.7482e-04 -2.0502e-03 9.0418e-05 2.4834e-04 -6.0000e+00 1.5899e-02 -7.1207e-04 -1.1363e-04 12 8 8 10 0 0 43.81 21.16 0.23 -0.00071 -0.01612 139 33 1 5 0 347.310 25.68 20.01 21.16 10.98 38.5 958.48 -149571 -186202 -85697 -178203 -288600 -194541 -150519 -171075 -27293 -172964 -86762 -145439 -67727 -112370 66357 -69449 21740 -30913 11185 -17531 25391 -32136 53017 -54013 -10651 -34459 -21762 -57870 -15595 -59894 6249 1386 17794 14440 22747 224 24638 20078 17726 20245 24422 25189 18823 14683 22985 33416 26942 23711 19856 15273 23151 22650 27000 27761 19208 18332 9802 14177 12392 15141 7907 17805 11359 15959 15760 12355 7376 12183 6912 9823 3676 8309 1028 3474 -957 639 -1113 -1118 -1856 2939 -1838 264 -2070 -2624 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