File name: Pandora64s1_NewHavenCT_20240218_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240219T051056.9Z 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_20240218_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: 20240218 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 20240218T122450.9Z 8814.517256 164 1 48.63 2 83.36 111.96 111.70 0.21 0.00 1 0.00 1 0 25 8.163e-01 5.552e-02 2.508e-01 1.836e-02 1.278791e+00 1.129604e-02 1.655840e-02 -6.000000e+00 4.879890e-01 225.01 -2.00 3.52 -2.00 322.00 0.00e+00 5.354975e-02 3.858581e-03 1.154598e-02 -6.000000e+00 2.109549e-02 275.18 -2.00 20.00 -2.00 321.62 0.00e+00 7.879 0.009 302.00 328.00 3 6.7859e-01 3.6855e-02 1.5767e-01 -6.0000e+00 1.2074e+00 3.0527e+00 4.1467e-02 1.8751e-01 -6.0000e+00 1.3100e+00 -3.3186e+00 2.1325e-02 3.2165e-02 -6.0000e+00 7.7847e-01 1.2144e+00 1.2892e-02 5.2272e-02 -6.0000e+00 3.3045e-01 1.3895e-05 -4.4212e-03 4.0116e-04 6.2903e-04 -6.0000e+00 2.4262e-02 1.8850e-04 -8.2587e-05 12 8 8 10 0 0 69.31 21.71 0.18 0.00019 -0.03303 36 9 1 5 0 1350.580 26.11 20.00 21.71 2.69 36.2 926.66 181555 304529 306191 222306 -38440 187330 105993 69516 93017 24808 -29462 121717 51686 30897 232212 206403 185547 152775 175969 148352 162158 104587 900000 89522 10247 12721 34585 -48760 -5997 -72578 103319 83317 131684 85400 52456 18275 76931 7600 113217 -22367 110527 2165 50148 -53643 33210 33212 191927 19892 84207 -36087 117778 127692 278535 25289 70378 9735 -1915 -22196 81129 -5198 -22949 -11658 57029 23621 82605 13053 34213 75683 39593 37352 48165 26881 7784 1001 -17334 -19056 35366 1349 -14950 22932 1964 -30986 395 6787 11351 8406 5684 1769 6181 12060 -6138 3225 -27014 -1411 -9814 8768 -5451 7849 4136 3948 -1909 1392 -9597 10568 -8533 -13300 -6050 11693 -6895 -654 -1207 -3177 -2884 -32 -2510 -3977 -805 2046 1483 4356 847 4248 1705 3818 6952 2500 -1552 2553 2094 -936 1221 -2025 -170 218 1115 -704 -225 -17 1375 -253 54 -2843 19880 10561 9591 12435 -17382 7335 6284 4122 3441 1360 -2571 3195 3932 4034 6096 8374 9341 10938 9252 8962 7353 6084 900000 3739 676 729 1444 -4418 -409 -12074 4685 5567 5971 5809 4131 1676 3947 714 3918 -2802 3825 206 3231 -9242 2615 2735 3681 2025 5125 -7307 5903 6095 4985 3197 5627 1220 -244 -3104 3969 -595 -3132 -1630 5036 3171 6998 2103 4669 7586 5802 6059 7058 4661 1463 174 -3083 -3091 3629 210 -3445 4515 563 -13246 132 2316 3810 2953 1957 628 2164 3751 -2135 999 -11149 -554 -4877 4505 -3926 5851 3286 3089 -1529 923 -6214 5485 -5606 -9522 -4395 8027 -6376 -681 -1470 -4321 -4076 -44 -3520 -5663 -1157 2990 2252 6289 1178 5272 2076 4408 7639 2861 -1898 3498 3550 -1842 2710 -5148 -464 607 3268 -2151 -681 -50 3935 -711 136 -6767 SS 20240218T123503.5Z 8814.524346 167 1 49.51 2 81.60 113.74 111.65 2.53 0.00 1 0.00 1 0 25 4.617e-01 3.352e-02 1.936e-01 1.143e-02 1.125332e+00 6.853424e-03 1.257757e-02 -6.000000e+00 2.774312e-01 225.01 -2.00 3.52 -2.00 322.05 0.00e+00 7.408587e-03 3.199773e-03 2.481304e-03 -6.000000e+00 1.219180e-02 275.18 -2.00 20.00 -2.00 321.62 0.00e+00 6.439 0.005 302.00 328.00 3 2.2426e+00 2.3381e-02 8.8001e-02 -6.0000e+00 6.8545e-01 1.7371e+00 2.8756e-02 6.0203e-02 -6.0000e+00 7.4356e-01 -2.0472e+00 2.2877e-02 3.2887e-02 -6.0000e+00 4.4111e-01 7.8371e-01 1.1641e-02 1.1989e-02 -6.0000e+00 1.8730e-01 2.0605e-05 -2.4153e-03 2.8574e-04 2.0741e-04 -6.0000e+00 1.3731e-02 -1.5754e-03 -1.2599e-04 12 8 8 10 0 0 98.94 21.72 0.18 -0.00158 -0.01973 20 5 1 5 0 2474.950 26.11 20.00 21.72 3.22 36.0 928.34 -15571 17097 -8244 35777 900000 -75921 -18480 -68947 34665 -24615 -104072 -43476 -61541 -17514 -192 53125 -28729 61858 -5799 58697 15118 900000 900000 354336 -4977 -9345 -57627 -52248 -32488 -85706 -40937 78184 4293 83550 11624 56263 -15453 30797 22886 19044 48580 45730 52291 -17532 12906 45661 115239 20728 11718 -26142 40695 58155 130205 34005 58529 32961 14954 16606 61425 10019 23517 13861 33805 24884 76467 17354 26229 40454 45432 13727 30713 17942 13923 3191 -4478 -9149 76430 -7070 -6096 3532 3428 -24646 5311 -105 10200 -889 5713 4521 6161 3420 -5243 -156 -9339 -7435 -2023 2657 -3716 -823 860 -2560 -5767 -5043 -7400 488 -4494 -6936 -5975 5781 -5931 907 747 -857 116 1324 -2584 -297 523 911 -189 3363 -631 4390 1659 4461 2902 2259 -3226 2217 852 1115 588 -995 543 -658 393 -174 -138 284 841 175 -1038 -2707 -666 561 -327 753 900000 -3618 -469 -2816 522 -625 -5990 -1641 -3580 -824 -9 1677 -2055 2067 -348 1846 627 900000 900000 3947 -216 -405 -3781 -3040 -1588 -7940 -3192 2254 271 2464 597 1917 -1081 1615 1402 1344 2833 2632 2981 -1834 975 2633 3398 1578 1044 -3525 3325 4355 5375 3683 5035 3672 1943 1984 4589 1135 2401 1741 3996 3650 7004 2900 4253 6084 7311 3187 6249 4092 3053 694 -919 -1781 7162 -1521 -1573 1004 1146 -11902 2053 -45 4136 -415 2549 2027 2639 1492 -2346 -65 -4271 -3806 -1178 1772 -2963 -735 803 -2411 -5143 -4095 -5589 345 -3529 -5818 -5398 5174 -6610 1106 1042 -1246 172 1929 -3827 -426 768 1383 -300 5053 -927 6013 2252 5682 3674 2837 -4356 3250 1443 2183 1249 -2343 1363 -1723 1083 -496 -392 802 2268 455 -2507 -6138 SS 20240218T125003.5Z 8814.534762 172 1 27.91 2 79.04 116.42 111.44 5.94 0.00 1 0.00 1 0 25 8.766e-01 5.653e-02 3.209e-01 1.878e-02 8.721905e-01 1.079620e-02 1.125004e-02 -6.000000e+00 5.296980e-01 225.01 -2.00 3.52 -2.00 321.33 0.00e+00 6.179930e-02 3.968714e-03 4.654133e-03 -6.000000e+00 2.309941e-02 275.18 -2.00 20.00 -2.00 320.90 0.00e+00 5.072 0.002 302.00 328.00 3 3.5798e+00 3.3280e-02 9.9423e-02 -6.0000e+00 1.3133e+00 1.6534e+00 3.7242e-02 1.3258e-01 -6.0000e+00 1.4292e+00 -2.0375e+00 2.2095e-02 2.4484e-02 -6.0000e+00 8.4575e-01 8.8293e-01 1.1887e-02 5.3301e-02 -6.0000e+00 3.5597e-01 2.1076e-05 -7.9437e-03 4.7498e-04 6.8005e-04 -6.0000e+00 2.6730e-02 2.4185e-02 3.5311e-04 12 9 9 12 1 1 99.99 21.76 0.29 0.02419 -0.03551 21 9 1 5 0 1268.210 26.21 20.00 21.76 4.05 36.2 933.40 346366 148278 900000 170950 -65340 162295 385162 -835 113394 -21129 31236 -44036 155942 4842 212959 154951 149545 188066 126240 259938 120061 900000 166715 146901 4800 103476 -3100 87016 26658 -19086 37836 329236 77661 900000 52560 81134 17064 147320 23279 185002 53095 145597 22703 45858 35960 127304 73343 132682 31264 47470 67320 213202 79268 39321 41993 39907 -269 17466 21213 23777 12588 32641 43839 53446 48047 18167 20574 35548 18814 23449 9916 9669 3898 -6398 -6153 -17731 20053 -15067 2191 4952 7568 -26615 5017 -13616 1040 -8123 2743 -10295 7486 -4325 -4056 -15169 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