File name: Pandora64s1_NewHavenCT_20240720_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240721T050646.0Z 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_20240720_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: 20240720 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 20240720T102038.6Z 8967.431002 176 1 48.43 2 83.28 68.51 111.56 250.88 0.00 1 0.00 1 0 33 9.945e-01 6.277e-02 2.970e-01 1.915e-02 9.060536e-01 1.158376e-02 1.776233e-02 -6.000000e+00 6.154625e-01 232.75 -2.00 3.52 -2.00 321.64 0.00e+00 8.312773e-02 4.831737e-03 8.616757e-03 -6.000000e+00 2.774019e-02 289.46 -2.00 20.00 -2.00 321.13 0.00e+00 7.778 0.009 302.00 328.00 3 1.3366e+00 3.9601e-02 9.5102e-02 -6.0000e+00 1.5431e+00 2.3338e+00 4.4231e-02 1.0618e-01 -6.0000e+00 1.6612e+00 -2.5207e+00 2.1440e-02 2.3091e-02 -6.0000e+00 9.8786e-01 9.6071e-01 1.3296e-02 5.1761e-02 -6.0000e+00 4.1722e-01 1.2014e-05 -5.4795e-03 4.9112e-04 1.2164e-03 -6.0000e+00 2.9648e-02 9.4419e-03 9.1284e-05 12 8 8 10 0 0 99.64 21.80 0.03 0.00944 -0.03173 17 4 1 5 0 2848.280 26.21 20.00 21.80 27.79 40.1 1040.30 268035 259803 262957 300022 -34773 402676 108385 147079 97995 131002 -36299 49319 44760 154078 105224 231159 145353 273167 133876 344024 177367 900000 900000 900000 19404 263063 -41971 26650 8148 -55011 57829 91498 85397 130014 94470 136057 67127 62971 26665 4979 112852 86937 27128 -12428 24360 91893 111858 102861 122045 -16093 204704 228718 224328 33187 73494 900000 44797 2363 74189 12470 37745 40502 74406 41656 102717 17722 33660 33034 56286 11073 67687 10394 20072 -15043 4572 -27230 70218 -19393 -4939 7279 3900 -12959 109 -5543 4211 -11828 7512 -14362 13378 5127 -6462 3657 -22253 -20213 -12387 -2422 -2249 -483 3337 1693 388 -1853 -15970 -4501 -7010 -9602 -8776 13082 -6017 1986 1576 -455 -2061 3160 -3832 -3845 -1060 2209 -1498 9087 3558 7381 -2586 10966 7922 2710 -4381 4811 -259 396 277 -1001 450 598 -213 923 -1337 -509 839 -612 -1674 -1761 12226 13523 13171 9020 -16814 7514 6174 4036 3012 2445 -2495 1943 2857 5591 8371 7358 10992 6896 11833 6420 8090 900000 900000 900000 1126 4909 -3437 1258 541 -8520 4616 6450 7171 6739 5876 5227 4523 4178 2433 518 4336 4390 2559 -1794 2656 5906 6753 6931 7502 -3484 6446 5868 6017 4954 7009 900000 4551 318 5293 1655 4382 5374 8253 6955 10329 3881 6314 6262 9011 3023 10636 2807 4514 -4270 938 -6953 7134 -5085 -1382 2223 1361 -6009 47 -2596 1863 -6335 3413 -8201 5729 2277 -2996 1457 -11440 -11202 -7593 -1645 -1749 -434 3125 1587 340 -1459 -13041 -3279 -5550 -8174 -8071 10741 -6859 2414 2162 -645 -2995 4479 -5406 -5404 -1518 3242 -2404 13234 5260 10409 -3878 13818 9975 3532 -6131 6865 -438 761 597 -2255 1068 1509 -575 2539 -3783 -1440 2291 -1591 -4094 -4196 SS 20240720T103135.4Z 8967.438604 179 1 48.31 2 81.36 70.22 113.41 252.38 0.00 1 0.00 1 0 25 4.876e-01 3.034e-02 1.764e-01 5.454e-03 8.119744e-01 3.199679e-03 1.209925e-02 -6.000000e+00 2.996072e-01 232.75 -2.00 3.52 -2.00 321.69 0.00e+00 3.173068e-02 1.772811e-03 1.010299e-02 -6.000000e+00 1.337552e-02 289.46 -2.00 20.00 -2.00 321.12 0.00e+00 6.273 0.004 302.00 328.00 3 1.5933e+00 1.2007e-02 8.2054e-02 -6.0000e+00 7.5142e-01 9.0335e-01 1.4992e-02 4.7604e-02 -6.0000e+00 8.0915e-01 -1.1791e+00 1.1738e-02 3.1057e-02 -6.0000e+00 4.8193e-01 4.8678e-01 5.6813e-03 1.9744e-02 -6.0000e+00 2.0354e-01 7.3379e-05 -2.6014e-03 1.5119e-04 5.0978e-04 -6.0000e+00 1.4523e-02 1.1230e-02 -1.0991e-04 12 8 8 10 0 0 95.59 21.80 0.20 0.01123 -0.00832 53 13 1 5 0 911.410 26.21 19.99 21.80 28.46 39.9 1043.22 -17945 71072 11413 -58405 -215971 -51180 -44082 -98195 -39245 -47969 -64415 -50900 25324 -16450 70786 30091 65461 118315 54847 60259 52770 94289 346980 66747 52425 4258 -4874 22852 10633 -32148 57287 29704 60481 63397 61122 19113 41627 45280 64929 40569 68571 35932 54079 31555 59911 38588 71869 48099 44253 19354 52582 18974 69454 31506 39154 19963 17075 11162 26422 16102 17666 17668 29303 29982 30852 17189 17626 18990 15170 10519 8702 8936 3017 2671 1244 -4958 4994 -5747 -1032 2649 632 -645 -2489 -2987 -2625 -2969 -1680 -833 -1006 134 -4380 -2022 -8244 -6057 -5452 -2610 -3795 -571 -534 -407 -716 -2261 -5285 -2078 -3091 -3977 -2936 262 -1660 -727 -168 -879 -738 -236 -729 -428 918 795 1323 2124 1596 2824 2106 2645 3281 1752 -500 1183 2095 856 1225 45 193 -438 674 -613 -976 73 445 -517 -581 -2448 -347 618 182 -1638 -21026 -990 -703 -2469 -512 -649 -1059 -935 306 -414 958 727 1234 1430 1273 1311 1148 1231 1845 968 811 103 -127 464 272 -1570 1468 1178 1988 1992 1802 859 1590 1839 2417 2099 2818 2154 2876 2181 3273 2742 3857 3488 3530 1964 4626 2312 5910 3742 4268 2601 2232 1489 2974 2076 2450 2803 4753 5408 5660 3580 3765 4183 3892 3137 2757 2819 952 775 329 -1285 1177 -1658 -341 934 263 -307 -1290 -1640 -1528 -1814 -1052 -522 -624 78 -2503 -1088 -4772 -3796 -3992 -2202 -3517 -586 -575 -426 -695 -1995 -4517 -1790 -2862 -3901 -3095 294 -2150 -989 -251 -1374 -1153 -357 -1069 -623 1371 1249 2174 3476 2534 4231 3087 3965 4762 2520 -742 1799 3639 1691 2488 100 450 -1097 1671 -1582 -2555 191 1126 -1319 -1394 -5641 SS 20240720T104516.2Z 8967.448104 184 1 48.40 2 78.93 72.34 115.74 254.25 0.00 1 0.00 1 0 17 4.609e-01 1.040e-02 6.663e-02 1.613e-03 6.959276e-01 9.182650e-04 8.022231e-03 -6.000000e+00 2.831915e-01 232.75 -2.00 3.52 -2.00 320.96 0.00e+00 2.789589e-03 4.328371e-04 2.086464e-03 -6.000000e+00 1.264376e-02 289.46 -2.00 20.00 -2.00 320.32 0.00e+00 5.019 0.002 302.00 328.00 3 1.1194e+00 3.1062e-03 6.3342e-02 -6.0000e+00 7.1024e-01 5.8072e-02 4.1586e-03 3.9124e-02 -6.0000e+00 7.6483e-01 -9.6715e-02 3.8967e-03 2.0370e-02 -6.0000e+00 4.5553e-01 3.3624e-02 1.8685e-03 6.2964e-03 -6.0000e+00 1.9238e-01 5.4952e-04 -6.6528e-04 4.6750e-05 9.3377e-05 -6.0000e+00 1.3728e-02 1.1185e-02 -1.2233e-04 12 8 8 10 0 0 96.42 21.75 0.18 0.01119 0.00619 208 50 1 5 0 232.650 26.21 20.00 21.75 29.25 40.1 1047.65 -179618 -118758 -181642 -119436 -271294 -97345 -171352 -108861 -131115 -62996 -128778 -62149 -96387 -44121 -67967 -17770 -50234 -3184 -50306 1133 -38500 -3054 -21300 3190 -27319 -2217 -31862 -11655 -25273 -23450 -17221 -3751 997 3738 -10407 -4845 -5939 2693 2240 4831 4849 4728 3546 1252 5924 4910 5951 3325 3744 261 8175 3070 6376 2589 3077 1058 3022 172 2969 1240 2927 1331 3974 4280 4124 453 2184 453 2859 2168 1572 486 929 48 21 -1807 624 -2531 -289 -930 -898 -1336 -1648 -2297 -498 -865 498 241 1179 282 136 1 -830 -544 336 -40 -609 944 191 -587 -919 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