File name: Pandora64s1_NewHavenCT_20240405_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240406T045815.5Z 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_20240405_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: 20240405 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 20240405T111623.9Z 8861.469721 94 1 14.19 2 81.65 88.86 69.85 135.02 0.00 1 0.00 1 0 17 5.696e-01 3.147e-02 3.134e-01 9.956e-03 1.176709e+00 6.002382e-03 1.316913e-02 -6.000000e+00 3.442964e-01 227.83 -2.00 3.52 -2.00 322.22 0.00e+00 3.717103e-02 3.388246e-03 1.394818e-02 -6.000000e+00 1.496252e-02 279.13 -2.00 20.00 -2.00 321.82 0.00e+00 6.471 0.005 302.00 328.00 3 7.9827e-01 2.2446e-02 1.4803e-01 -6.0000e+00 8.5631e-01 1.8426e+00 2.7061e-02 1.7717e-01 -6.0000e+00 9.2649e-01 -2.3413e+00 2.0881e-02 3.3161e-02 -6.0000e+00 5.5065e-01 9.4791e-01 1.0316e-02 4.4455e-02 -6.0000e+00 2.3316e-01 7.3799e-05 -3.3488e-03 2.3200e-04 3.9148e-04 -6.0000e+00 1.6939e-02 -1.7051e-03 -5.6183e-05 12 9 9 12 1 1 87.00 21.53 0.25 -0.00171 -0.02687 18 16 1 5 0 746.470 26.00 19.99 21.53 8.71 37.2 958.25 28334 116942 125881 13698 -139595 11670 86445 -47052 13916 -35140 38743 -49780 33214 -31278 121508 67250 99983 97689 73416 126161 86616 268943 81811 65660 24605 -16281 -39994 29994 22099 -57339 41273 60221 69227 152931 114767 36627 46006 14645 77458 50162 170676 127127 75894 17802 40771 94580 97608 60536 74680 40021 62544 91646 77235 77661 55501 74423 52754 48054 71350 76811 20409 55601 33997 68788 66954 31285 30244 39386 28942 39601 24735 23256 11643 5488 2857 2740 25522 5544 5892 5410 7809 -3309 2653 292 4723 507 -158 -1755 555 3316 -4046 -5729 -6523 -7179 -5333 -1905 -3443 -580 911 -867 -667 -2831 -5193 -2499 -3980 -4964 -5690 -2353 -2913 -2263 -1689 -2004 -2624 -900 -888 -2837 -213 -1000 2480 2580 2532 2949 4280 4611 4548 3882 -979 290 1444 1426 1474 175 -80 -237 850 -236 -468 620 818 -367 -1396 -3605 975 1754 1666 459 -15471 247 839 -1163 160 -589 376 -1230 528 -1353 1501 1721 2029 2155 2008 2082 1682 2611 1350 1084 525 -431 -1271 524 472 -3188 1166 1701 2016 2078 2005 1196 1380 633 2105 1726 1988 2345 2431 943 1763 2754 2937 2618 3032 2508 3477 4125 4226 4386 3820 4072 3398 3011 3671 3728 1693 3729 3330 5524 5849 3976 4110 5179 4700 6395 4780 4474 2312 1027 479 418 3176 959 1263 1326 2211 -1204 983 116 1872 216 -69 -785 238 1309 -1617 -2289 -2744 -3490 -3111 -1218 -2689 -517 865 -824 -581 -2190 -3680 -1724 -2939 -3866 -4874 -2187 -3193 -2708 -2315 -2989 -4073 -1375 -1333 -4334 -330 -1628 4044 4134 3808 4114 5656 5867 5667 4819 -1300 438 2601 2804 3297 408 -204 -647 2436 -659 -1307 1707 2297 -960 -3357 -8666 SS 20240405T113425.8Z 8861.482243 102 1 4.64 2 78.26 91.83 67.54 138.82 0.00 1 0.00 1 0 25 5.381e-01 3.750e-02 3.838e-01 1.617e-02 9.156161e-01 9.304900e-03 1.095483e-02 -6.000000e+00 3.261705e-01 227.83 -2.00 3.52 -2.00 321.43 0.00e+00 2.756894e-02 4.446099e-03 2.250594e-03 -6.000000e+00 1.449351e-02 279.13 -2.00 20.00 -2.00 320.97 0.00e+00 4.758 0.002 302.00 328.00 3 2.6561e+00 3.0913e-02 6.9533e-02 -6.0000e+00 8.1310e-01 9.2769e-01 3.8200e-02 5.6884e-02 -6.0000e+00 8.8040e-01 -1.2676e+00 3.2321e-02 2.9560e-02 -6.0000e+00 5.2150e-01 5.5692e-01 1.5720e-02 2.6977e-02 -6.0000e+00 2.2214e-01 9.0289e-05 -2.1885e-03 4.1118e-04 3.9569e-04 -6.0000e+00 1.6068e-02 -3.4236e-03 4.2304e-05 12 9 9 12 1 1 999.00 21.53 0.16 -0.00342 -0.01987 2 7 1 5 0 1545.340 26.00 20.01 21.53 9.08 37.1 959.95 900000 -110165 -31690 61823 -220632 251422 60631 -137305 900000 -26749 -39881 -82255 87723 205007 23549 38274 71606 185461 35318 54660 40243 54515 48057 71980 -21946 33545 -68260 11377 -21928 -3270 -2505 65624 49369 54726 23811 82497 -6322 97954 17767 203644 38718 51254 23577 37764 37573 94404 20323 37671 40193 44548 37441 54690 35183 43854 40958 27379 5521 39262 23920 19403 11128 35498 30091 32726 31339 14782 17857 19303 14409 13754 14277 5039 11887 14457 7470 -1337 15633 -7910 -5983 2677 3098 -7025 -2347 -6503 -1573 -5715 734 -1498 4064 1422 -3119 -8109 -4096 -12994 -628 -4620 -3362 -2475 1849 838 1331 -2346 -5137 -3524 -938 -6803 -4152 -737 -1512 -2286 1114 -1041 -63 -1947 -595 -538 -502 422 1927 2301 68 3142 3902 4890 4399 2253 297 899 2362 2730 1225 626 989 -889 151 -549 -370 619 -417 -958 -2383 -2475 900000 -5117 -721 974 -22251 3962 955 -4808 900000 -422 -628 -1944 1382 3230 524 887 1327 2922 989 1317 1044 1112 980 1134 -730 653 -3406 274 -813 -124 -116 1947 1968 2080 1063 2141 -398 2542 1089 3209 2237 2737 1754 2513 2599 4113 1850 3100 3448 3978 3999 5362 4231 5092 4892 3701 907 4640 3015 2591 1735 4946 5116 6161 6264 3482 4236 4739 3939 4226 4567 1767 3662 3953 1954 -367 3630 -2424 -2164 1076 1376 -3932 -1349 -4089 -997 -3758 490 -984 2605 889 -1912 -5056 -2487 -9121 -460 -4202 -3393 -2731 2081 931 1419 -2295 -4744 -3264 -898 -7201 -4628 -836 -1967 -3297 1736 -1681 -102 -3134 -913 -847 -784 681 3195 3793 109 4822 5731 6827 6244 3197 413 1387 4022 5057 2464 1358 2201 -2073 370 -1386 -935 1549 -1023 -2271 -5309 -5319 SS 20240405T113829.5Z 8861.485063 105 1 48.34 2 77.49 92.51 67.04 139.70 0.00 1 0.00 1 0 25 7.922e-01 1.094e-02 3.901e-02 8.348e-04 8.916408e-01 4.776151e-04 9.960391e-03 -6.000000e+00 4.788918e-01 227.84 -2.00 3.52 -2.00 321.22 0.00e+00 3.668461e-03 2.321638e-04 1.797000e-03 -6.000000e+00 2.081021e-02 279.13 -2.00 20.00 -2.00 320.75 0.00e+00 4.489 0.002 302.00 328.00 3 1.8128e-01 1.5848e-03 6.6133e-02 -6.0000e+00 1.1911e+00 1.2980e-01 2.3216e-03 4.9343e-02 -6.0000e+00 1.2886e+00 -1.5739e-01 2.5457e-03 2.8277e-02 -6.0000e+00 7.6587e-01 5.7857e-02 1.1920e-03 1.0773e-02 -6.0000e+00 3.2437e-01 1.7790e-03 -6.8043e-04 2.1804e-05 1.4028e-04 -6.0000e+00 2.3556e-02 -2.5494e-03 -3.6929e-05 12 9 8 11 8 0 48.67 21.53 0.17 -0.00255 -0.00766 633 152 1 5 0 76.360 26.00 20.01 21.53 9.14 37.3 960.83 -258261 -254481 -253013 -280102 -323625 -269768 -247504 -235584 -218048 -205488 -202494 -179876 -157081 -136244 -108023 -89061 -92688 -62321 -70448 -60018 -75834 -50217 -66932 -49942 -54472 -41995 -54630 -46463 -53242 -38606 -25962 -8367 -17342 -7275 -20119 -9456 -13449 -503 -2255 6056 758 5991 3105 4411 4567 5539 4938 5599 2989 4892 7457 -2621 7572 7902 5380 5764 5501 4089 3023 2894 4185 4613 5746 6926 5338 2531 2431 1030 2720 3221 2045 1645 881 351 -813 -2067 -1231 -2257 -350 -580 -658 -622 -1671 -2307 -724 -744 501 439 1356 223 45 -281 -1257 -919 38 -325 -528 785 700 -470 -515 -2106 -2400 -61 586 -1520 -617 -972 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