File name: Pandora64s1_NewHavenCT_20240614_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240619T002245.5Z 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_20240614_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: 20240614 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 20240614T101532.4Z 8931.427458 76 1 46.99 2 81.28 66.56 134.93 341.95 0.00 1 0.00 1 0 25 8.528e-01 5.916e-02 2.130e-01 1.318e-02 7.551237e-01 7.667771e-03 1.478885e-02 -6.000000e+00 5.254671e-01 232.94 -2.00 3.52 -2.00 321.25 0.00e+00 7.918858e-02 2.992912e-03 8.515547e-03 -6.000000e+00 2.309977e-02 286.48 -2.00 20.00 -2.00 320.70 0.00e+00 6.225 0.004 302.00 328.00 3 2.6394e+00 2.4626e-02 7.6051e-02 -6.0000e+00 1.3200e+00 1.7152e+00 2.7434e-02 8.6326e-02 -6.0000e+00 1.4208e+00 -1.9469e+00 1.4719e-02 2.2834e-02 -6.0000e+00 8.4456e-01 7.8356e-01 8.3373e-03 4.9082e-02 -6.0000e+00 3.5655e-01 1.9579e-05 -6.0580e-03 3.4815e-04 1.0225e-03 -6.0000e+00 2.5399e-02 -4.9686e-03 -7.4276e-05 12 8 8 10 0 0 61.52 21.52 0.15 -0.00497 -0.05049 15 4 1 5 0 3132.080 26.00 20.01 21.52 26.36 39.4 1040.09 171467 195115 240887 239070 -55101 164414 69665 161222 55437 40101 -43757 107307 9192 113890 99055 168715 125909 385317 143709 241067 129287 440056 174495 113102 5669 34675 3450 55145 72805 -32726 61851 93127 96905 129451 123560 146432 81408 52809 72462 22781 53825 52803 68187 -5150 23455 59412 70250 43369 95721 20426 80421 19740 104360 20459 75521 4888 14704 -13052 23853 7861 10826 30117 48334 41576 58626 15444 17143 31210 24839 12915 26150 5823 8717 -7570 -15442 -9501 25997 3480 -3166 5509 24 -26211 1463 -8089 -6205 -8094 -1621 -8665 2777 -281 -6334 -2913 -20047 -17242 -12851 -1568 -5905 2062 2580 521 1407 2350 -6805 -7660 -7118 -6695 -7987 5301 -3935 207 1326 482 -912 1160 -2667 -671 -934 974 848 6789 3547 6847 2920 5477 4044 4926 -1368 3269 1411 1910 65 501 148 -351 441 -494 -2202 -433 245 -776 -1115 -2459 10528 11504 9287 8132 -22765 6214 4371 2849 2004 1288 -2679 1896 653 4563 6589 7142 9327 4952 9777 6196 8307 5655 4485 3724 373 1504 194 1993 2690 -4135 4535 6195 7032 7174 6252 5292 5361 4192 4889 2342 3987 4031 5203 -802 3191 6243 7169 6229 8466 3748 9058 4016 9703 4104 8506 946 2490 -2703 3354 1385 2087 5600 8732 9146 11434 4267 4614 7264 6508 4177 7617 2045 2782 -2573 -5071 -2659 5286 904 -1056 2061 11 -16540 785 -4656 -3672 -5080 -989 -5778 1738 -174 -3884 -1622 -12881 -10880 -9057 -1190 -5575 2098 2843 581 1448 2131 -6126 -6953 -6832 -6693 -8725 5561 -4831 277 1947 749 -1437 1738 -3994 -971 -1406 1521 1403 10848 5705 10166 4347 7639 5508 6854 -1896 4701 2383 3630 133 1085 341 -857 1131 -1263 -5763 -1125 653 -1982 -2675 -5610 SS 20240614T102907.4Z 8931.436891 81 1 48.79 2 78.92 68.63 135.65 346.48 0.00 1 0.00 1 0 25 3.274e-01 3.328e-02 1.032e-01 4.526e-03 6.502661e-01 2.584719e-03 1.063314e-02 -6.000000e+00 2.017930e-01 232.94 -2.00 3.52 -2.00 321.03 0.00e+00 2.939886e-02 1.135077e-03 9.554872e-03 -6.000000e+00 8.868855e-03 286.48 -2.00 20.00 -2.00 320.43 0.00e+00 5.018 0.002 302.00 328.00 3 2.8424e+00 8.4734e-03 6.7922e-02 -6.0000e+00 5.0691e-01 5.3561e-01 1.0286e-02 4.2228e-02 -6.0000e+00 5.4553e-01 -7.6923e-01 8.0075e-03 3.0556e-02 -6.0000e+00 3.2428e-01 3.3214e-01 3.9769e-03 1.8733e-02 -6.0000e+00 1.3697e-01 8.8867e-05 -2.1801e-03 1.3109e-04 4.2510e-04 -6.0000e+00 9.7489e-03 -6.6913e-03 -1.2311e-05 12 8 8 10 0 0 89.33 21.53 0.20 -0.00669 -0.02307 40 10 1 5 0 1219.440 26.00 20.02 21.53 27.02 39.6 1043.77 -12754 43343 624 55146 -205166 14339 -64749 7161 -30453 5012 -102274 35455 -33799 16446 33748 44421 32946 67107 48180 87100 49706 112203 56407 62546 16587 24700 -264 28174 21212 -17799 32628 54964 53501 53008 59556 30292 48801 25117 32766 17241 29448 27151 29361 18540 33320 30378 51247 31339 37942 12310 36588 32858 34567 20631 22313 8304 10646 -1181 12281 3461 11361 10481 17971 16069 21974 10124 13268 9433 7112 5723 5709 2192 1230 -695 -1039 -4693 2035 -5717 -3232 14 -3240 -5759 -3571 -4351 -3352 -3816 -2356 -2182 -530 383 -3156 -2698 -6654 -4650 -5502 -1922 -2327 15 1116 -448 -437 -1616 -5168 -1716 -2176 -3570 -2700 -56 -1395 517 -87 576 -333 458 -855 -296 260 1141 1282 2511 1710 2484 2584 2786 2557 2415 -1010 1866 2079 1381 913 247 -157 -617 -98 -269 -993 -163 328 -1057 -878 -1972 -272 643 14 686 -25209 207 -1714 95 -562 62 -3422 398 -957 381 844 1192 1102 1911 1577 2131 1554 1890 1561 1505 543 793 -10 882 774 -1047 1452 2284 2557 2573 2497 1704 2440 1764 2398 1623 2599 2586 2926 2154 3504 3463 4937 3872 4576 1884 5220 4851 5303 3810 4037 1711 2110 -256 2301 733 2414 2544 4587 4642 6123 3086 3950 2997 2559 2337 2457 989 537 -288 -393 -1682 667 -2144 -1379 7 -1747 -3581 -2324 -3004 -2451 -2953 -1875 -1764 -419 286 -2283 -1844 -4637 -3393 -4641 -1702 -2390 17 1331 -530 -483 -1636 -5102 -1696 -2314 -4028 -3250 -72 -1864 755 -140 945 -546 717 -1295 -438 395 1806 2146 4244 2855 3964 4003 4130 3675 3382 -1444 2812 3533 2464 1782 511 -326 -1361 -229 -652 -2454 -404 798 -2477 -1945 -4196 SS 20240614T103454.9Z 8931.440913 84 1 48.54 2 77.91 69.51 135.90 348.45 0.00 1 0.00 1 0 25 3.806e-01 1.439e-02 6.819e-02 2.341e-03 6.298424e-01 1.332165e-03 7.619223e-03 -6.000000e+00 2.345525e-01 232.94 -2.00 3.52 -2.00 320.78 0.00e+00 6.686515e-03 5.665762e-04 2.983291e-03 -6.000000e+00 1.030948e-02 286.48 -2.00 20.00 -2.00 320.16 0.00e+00 4.629 0.002 302.00 328.00 3 2.2540e+00 4.2790e-03 5.8536e-02 -6.0000e+00 5.8921e-01 7.9309e-02 5.4777e-03 3.6387e-02 -6.0000e+00 6.3412e-01 -1.7323e-01 4.9100e-03 2.0528e-02 -6.0000e+00 3.7694e-01 6.9028e-02 2.3976e-03 7.8098e-03 -6.0000e+00 1.5919e-01 2.7568e-04 -1.0713e-03 6.9733e-05 1.2533e-04 -6.0000e+00 1.1334e-02 -6.3166e-03 -3.9499e-05 12 8 8 10 0 0 38.19 21.53 0.23 -0.00632 -0.01437 102 25 1 5 0 475.820 26.00 20.00 21.53 27.20 39.5 1044.21 -85831 -122747 -36201 -149692 -248288 -123982 -91501 -139787 -41045 -121619 -50499 -110483 -45966 -67614 -16469 -37832 763 -19095 4869 -3872 14602 -12222 20679 -5777 -17147 601 -9143 -28681 -15705 -28870 -5392 -5253 2459 1567 261 2608 1543 5862 6541 11552 2176 8028 3681 3534 2034 9071 6775 10050 3148 5263 7102 13150 7117 8186 5277 6061 1338 2842 1569 3940 834 4814 4056 7142 5096 2434 894 2318 1265 3082 947 1425 -395 377 -1681 -1330 -6 -2418 -2018 -868 -1774 -2448 -1986 -2466 -1130 -881 270 80 1307 576 -598 -267 -1494 -1883 -175 -411 -677 421 670 -1018 -432 -1680 -2439 -648 -114 -1851 -529 -683 -105 96 1067 186 415 46 288 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