File name: Pandora64s1_NewHavenCT_20240117_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240118T050710.3Z 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_20240117_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: 20240117 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 20240117T130342.3Z 8782.544239 60 1 48.58 2 82.95 125.76 118.88 48.63 0.00 1 0.00 1 0 25 4.452e-01 3.529e-02 2.241e-01 1.294e-02 1.273094e+00 7.925902e-03 1.404087e-02 -6.000000e+00 2.648479e-01 223.79 -2.00 3.52 -2.00 322.37 0.00e+00 4.691551e-04 3.741034e-03 5.270287e-03 -6.000000e+00 1.149485e-02 274.97 -2.00 20.00 -2.00 321.96 0.00e+00 7.491 0.008 302.00 328.00 3 1.1199e+00 2.8142e-02 1.0542e-01 -6.0000e+00 6.5354e-01 2.2210e+00 3.3338e-02 7.8161e-02 -6.0000e+00 7.0980e-01 -2.6300e+00 2.3853e-02 3.7005e-02 -6.0000e+00 4.2214e-01 9.8245e-01 1.2777e-02 1.1769e-02 -6.0000e+00 1.7943e-01 1.9831e-05 -2.4313e-03 3.0699e-04 2.0110e-04 -6.0000e+00 1.3220e-02 1.8248e-03 -1.0765e-04 12 8 8 10 0 0 1.13 21.61 0.05 0.00182 -0.01645 33 8 1 5 0 1472.000 26.11 19.99 21.61 -0.34 35.7 909.53 8180 43169 48004 -2942 -9022 -7297 -30918 -28724 133741 -11076 -35786 5038 30830 -10211 74381 50443 67998 66166 57400 30357 18937 59354 117510 -1425 -5253 24905 -28229 -31087 11518 -122606 16002 -780 107917 11038 72284 -28922 96234 -41697 48470 14432 173837 17988 124917 -52675 42585 -5771 94984 2847 33310 -44643 77873 48265 203269 16932 45336 29115 39673 25017 48604 -4890 11317 5587 43361 66512 89933 9127 33903 73081 39579 32712 32578 49320 12190 8131 -2312 -5337 54205 -2778 -7465 17350 2568 -16152 8870 11851 -1250 12130 4068 13242 2503 6206 -8318 4393 -11859 -2587 -6338 6476 -5017 3887 1433 -2130 -7090 -1751 -9218 877 -5382 -4621 -5785 8866 -4015 1224 239 -2685 -770 -890 -1282 -1130 -363 -222 -278 918 890 2832 3307 3411 5400 -1454 -1424 1842 2201 -366 783 -2604 -250 -980 1553 665 619 636 1884 -585 -955 -3608 540 2042 1930 -155 -405 -288 -1462 -1291 1687 -428 -1693 199 1167 -660 2564 2267 2802 2782 2462 1460 955 1797 2117 -74 -273 963 -1580 -1725 416 -17375 794 -49 2820 678 2279 -2120 2428 -4109 2364 1024 2976 1276 3376 -6893 2184 -441 3081 230 2129 -6405 3929 3572 3663 1829 4003 2846 3603 2268 3351 -505 1075 586 3829 5313 5974 1302 4063 6821 5460 5338 5496 6882 2249 1372 -374 -804 4923 -473 -1630 3611 690 -6052 2804 3807 -479 4158 1533 4490 912 2045 -2993 1395 -4742 -1100 -3220 3508 -3617 2972 1197 -1797 -5743 -1165 -5949 517 -3557 -3163 -4386 6555 -3998 1307 299 -3773 -1108 -1291 -1843 -1616 -533 -337 -435 1377 1242 3602 4037 4033 6505 -1762 -1780 2608 3782 -721 1745 -6633 -648 -2771 4567 2019 1875 1916 5359 -1559 -2435 -8668 SS 20240117T131456.7Z 8782.552046 63 1 48.67 2 81.26 127.79 117.29 51.07 0.00 1 0.00 1 0 25 4.900e-01 3.339e-02 1.576e-01 5.692e-03 1.095293e+00 3.362065e-03 1.231097e-02 -6.000000e+00 2.916403e-01 223.79 -2.00 3.52 -2.00 322.09 0.00e+00 3.588593e-02 1.731393e-03 1.331646e-02 -6.000000e+00 1.265240e-02 274.97 -2.00 20.00 -2.00 321.70 0.00e+00 6.220 0.004 302.00 328.00 3 1.3485e+00 1.1782e-02 1.3457e-01 -6.0000e+00 7.1966e-01 1.6372e+00 1.4164e-02 1.5558e-01 -6.0000e+00 7.8147e-01 -2.1536e+00 1.1327e-02 3.0163e-02 -6.0000e+00 4.6477e-01 8.9148e-01 5.6644e-03 3.8849e-02 -6.0000e+00 1.9766e-01 6.4539e-05 -3.8241e-03 1.3894e-04 3.0078e-04 -6.0000e+00 1.4554e-02 -6.8101e-05 -4.7458e-05 12 8 8 10 0 0 59.01 21.61 0.18 -0.00007 -0.02880 64 15 1 5 0 760.360 26.11 20.00 21.61 0.31 35.5 911.64 65909 88998 86139 82886 -147005 23697 11313 34187 15242 46905 -82295 19341 -15525 54217 33756 83996 85401 110530 91279 141081 64227 184744 98685 50983 -7434 15339 -2285 17639 13534 -45985 59257 108435 64972 116521 58474 55915 47693 62410 60130 49779 57867 67378 105271 31165 61834 72953 89986 70112 51094 33044 85060 62138 103002 52631 75301 45233 42064 23926 50694 29357 41751 22750 44355 41804 54989 26223 40236 30213 31228 23586 24085 21621 16789 11451 8523 2667 16612 -6755 1518 6349 3086 -5071 3248 -2857 934 -2127 1007 -519 3252 848 -3657 -3418 -10224 -9455 -6311 -3912 -3853 -1398 719 1215 -596 -784 -5667 -2729 -3792 -5736 -5611 -1635 -4261 -2092 -1002 -2206 -2601 -644 -1517 -2040 -850 959 2097 2697 2288 3152 3332 4905 4814 3161 -289 1132 1800 1627 1285 665 189 -247 623 -155 -636 -97 764 -501 -1420 -3292 1696 1931 1869 1547 -18137 502 217 431 200 443 -2533 301 -454 1122 1124 2034 2241 2398 2349 2271 1782 1435 1588 1132 -233 383 -59 411 368 -2622 1743 2347 2229 2587 1859 1893 1612 2113 2236 1984 2190 2618 2921 1682 2527 3077 3396 3184 3016 2534 4292 4264 4937 4328 4825 3766 3438 2185 3351 2399 3223 2433 4476 4999 6131 3943 5522 4832 5483 4538 4767 4320 3253 2087 1531 462 2539 -1347 343 1688 999 -2043 1299 -1267 419 -1016 479 -252 1489 378 -1600 -1459 -4833 -5037 -3643 -2690 -3170 -1312 713 1180 -543 -624 -4256 -1994 -2959 -4763 -5064 -1582 -4572 -2580 -1398 -3361 -4091 -988 -2300 -3089 -1319 1526 3426 4331 3479 4446 4510 6316 6065 4002 -384 1691 3198 3139 2813 1597 461 -648 1721 -441 -1819 -276 2076 -1270 -3325 -7704 SS 20240117T132936.2Z 8782.562225 68 1 48.40 2 79.12 130.51 115.14 54.13 0.00 1 0.00 1 0 17 7.524e-01 1.839e-02 8.640e-02 2.142e-03 9.556893e-01 1.225484e-03 1.064926e-02 -6.000000e+00 4.478266e-01 223.79 -2.00 3.52 -2.00 321.54 0.00e+00 1.104657e-02 6.160236e-04 1.176866e-03 -6.000000e+00 1.942724e-02 274.97 -2.00 20.00 -2.00 321.13 0.00e+00 5.107 0.002 302.00 328.00 3 1.2593e+00 4.1772e-03 7.3128e-02 -6.0000e+00 1.1051e+00 4.3478e-01 6.1470e-03 5.5539e-02 -6.0000e+00 1.1999e+00 -5.7298e-01 6.7341e-03 3.1005e-02 -6.0000e+00 7.1365e-01 2.3552e-01 3.1287e-03 1.7315e-02 -6.0000e+00 3.0355e-01 3.0669e-04 -1.4008e-03 5.4856e-05 2.1136e-04 -6.0000e+00 2.2346e-02 -5.2426e-04 -3.1411e-05 12 9 8 11 8 0 51.16 21.62 0.20 -0.00052 -0.01105 155 37 1 5 0 312.220 26.11 20.01 21.62 0.98 35.7 914.65 -235571 -215766 -181628 -227139 -367654 -246035 -219981 -241799 -211882 -225233 -197615 -201130 -156066 -127480 -86455 -80960 -71488 -53083 -37143 -41973 -67450 -28782 1877 -68509 -37873 -48803 -39475 -58634 -19670 -66827 -11159 3824 10120 -2842 -1604 -3661 489 4367 16893 11643 28770 18699 31832 7875 27882 16390 28458 20256 23744 15585 24572 25180 25218 17665 18482 14119 12111 10774 11605 10287 11141 10777 10920 14260 12771 8642 7690 6746 6731 6716 4835 5848 2521 2513 -56 -557 1248 -1830 -770 1516 -635 -1178 -1776 -2417 -1173 -1177 -458 340 753 687 -907 -808 -3299 -2421 -1451 -1320 -1433 586 295 -557 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