File name: Pandora64s1_NewHavenCT_20231123_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231124T044514.8Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231123_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: 20231123 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 20231123T123219.2Z 8727.522444 159 1 48.17 2 83.83 124.10 134.39 341.28 0.00 1 0.00 1 0 25 5.171e-01 3.433e-02 1.741e-01 7.394e-03 9.053627e-01 4.305376e-03 1.104338e-02 -6.000000e+00 3.071186e-01 223.05 -2.00 3.52 -2.00 322.04 0.00e+00 4.627511e-02 2.285567e-03 7.571186e-03 -6.000000e+00 1.359657e-02 279.34 -2.00 20.00 -2.00 321.61 0.00e+00 8.352 0.011 302.00 328.00 3 -2.4002e-01 1.5714e-02 1.2706e-01 -6.0000e+00 7.5550e-01 1.5605e+00 1.8065e-02 1.3715e-01 -6.0000e+00 8.1997e-01 -1.9518e+00 1.2559e-02 2.3705e-02 -6.0000e+00 4.8923e-01 8.0291e-01 6.4732e-03 4.4643e-02 -6.0000e+00 2.0938e-01 5.2704e-05 -4.2749e-03 1.9724e-04 5.6896e-04 -6.0000e+00 1.5358e-02 -4.1497e-03 -5.2380e-05 12 8 8 10 0 0 84.34 21.51 0.24 -0.00415 -0.03627 82 20 1 5 0 587.380 26.00 19.99 21.51 13.40 37.5 966.44 70093 111996 88961 120305 -116293 73895 -6201 -53980 -19524 34934 -58868 36667 -8391 63481 65356 126434 90698 146621 114490 180619 63725 161420 69675 142257 21090 94940 -30099 10359 25337 -23068 40647 156146 67900 79439 94804 60204 39901 51186 43597 54184 61056 65587 62105 11948 69916 46523 80424 58453 65134 19665 70458 30484 89420 36656 51715 26422 36495 8575 36434 12122 37189 12250 40517 34938 48519 25605 34880 22971 24532 19424 21927 17350 16521 6432 8847 -7395 16790 -6197 6894 4585 4212 -8929 483 -3303 -500 -3338 1340 -233 2700 2457 -2328 -4003 -9467 -10521 -7266 -3922 -5746 -874 850 237 -439 86 -5298 -2781 -5658 -5525 -4606 -829 -5291 -1967 -2063 -1628 -1716 -368 -1389 -1928 -579 287 2120 3514 2219 3836 2657 4415 3580 3395 -767 1691 1644 1992 1799 1224 17 -45 273 -331 -1146 -13 661 -659 -1006 -2815 2572 2936 2915 2444 -18025 1453 -207 -2299 -486 479 -1775 582 -280 1498 2013 2826 2913 3171 3076 2604 2380 2095 1909 1538 639 1232 -1184 306 731 -1240 1700 2476 2937 3035 2734 2300 1870 2214 2137 2500 2685 2837 2955 893 3377 2744 3943 3835 4226 1946 4571 3157 5866 3796 4440 2771 3277 955 2961 1287 3339 1622 4700 4900 6264 4128 5258 4035 4646 4290 4900 4025 3616 1408 1682 -1502 2674 -1369 1622 1352 1336 -3674 195 -1443 -224 -1604 637 -114 1270 1109 -1032 -1739 -4379 -5442 -4330 -2735 -4861 -758 784 217 -376 70 -4170 -2155 -4806 -4909 -4402 -779 -5953 -2475 -2931 -2454 -2631 -549 -2035 -2817 -868 449 3421 5642 3471 5602 3797 6001 4785 4486 -1058 2547 2917 3749 3797 2809 43 -118 717 -904 -3177 -37 1771 -1799 -2560 -6801 SS 20231123T125137.5Z 8727.535851 165 1 48.41 2 80.89 127.57 135.23 347.67 0.00 1 0.00 1 0 25 5.620e-01 1.337e-02 6.640e-02 1.907e-03 7.214702e-01 1.062586e-03 8.342413e-03 -6.000000e+00 3.336966e-01 223.05 -2.00 3.52 -2.00 321.19 0.00e+00 7.096640e-03 5.130313e-04 2.026364e-03 -6.000000e+00 1.477415e-02 279.33 -2.00 20.00 -2.00 320.70 0.00e+00 5.994 0.004 302.00 328.00 3 4.2442e-01 3.5211e-03 7.0709e-02 -6.0000e+00 8.2087e-01 1.5833e-01 4.8454e-03 3.8980e-02 -6.0000e+00 8.9099e-01 -1.9251e-01 4.9869e-03 2.3521e-02 -6.0000e+00 5.3160e-01 7.5682e-02 2.3749e-03 1.0733e-02 -6.0000e+00 2.2746e-01 4.3101e-04 -1.1946e-03 5.4781e-05 1.4409e-04 -6.0000e+00 1.6691e-02 -3.9494e-03 -1.0106e-04 12 8 8 10 0 0 99.55 21.45 0.21 -0.00395 -0.01293 254 61 1 5 0 190.550 26.00 20.02 21.45 14.12 37.5 969.75 -215933 -154751 -186532 -180905 -300678 -167087 -182338 -144552 -155185 -118071 -149693 -110780 -121347 -87991 -55917 -41926 -45565 -23105 -43829 -33532 -43957 -18812 -22031 -30540 -18012 -17225 -28106 -27400 -29436 -40753 -13262 3582 3879 3245 -5303 -2822 -4064 5333 7853 4284 4264 6299 9121 3343 9020 5255 10513 6441 8211 2482 9295 7859 10301 8108 8226 6696 5451 2630 3174 3673 5719 6013 6954 8433 7024 2301 3743 1390 3463 3538 2301 1735 533 -140 -277 -2091 -48 -2877 -1147 311 -1255 -1494 -1607 -2548 -1114 -963 156 152 772 463 -142 -110 -2171 -1400 -978 -413 -687 722 609 -371 -474 -2089 -2765 -424 -14 -1539 -673 -989 -358 278 573 36 219 72 -250 -450 393 79 708 716 268 201 1001 791 1212 855 -1164 390 1179 352 569 -436 -516 -414 517 -171 -613 426 473 -231 -55 -1050 -2931 -1295 -2289 -1985 -9402 -1553 -2136 -1290 -1702 -966 -1837 -1153 -1873 -1276 -749 -585 -746 -339 -848 -617 -907 -304 -393 -636 -348 -346 -638 -616 -717 -1303 -399 107 134 116 -200 -110 -183 237 412 271 297 461 688 274 723 455 901 613 822 289 1148 1095 1532 1339 1298 1113 932 456 536 627 1025 1214 1585 2115 1837 625 1040 419 1161 1338 938 725 217 -54 -96 -681 -15 -1004 -461 146 -640 -867 -1005 -1710 -791 -719 120 118 589 336 -98 -73 -1468 -1024 -821 -372 -713 835 739 -441 -524 -2119 -2671 -418 -15 -1710 -798 -1192 -479 415 875 57 344 109 -391 -693 618 121 1142 1165 425 326 1570 1195 1772 1221 -1693 615 1970 661 1095 -900 -1132 -966 1205 -413 -1510 1052 1143 -530 -127 -2316 SS 20231123T130326.0Z 8727.544051 171 1 48.40 2 79.16 129.76 135.56 351.66 0.00 1 0.00 1 0 25 3.307e-01 8.446e-03 2.955e-02 8.996e-04 6.327975e-01 4.895207e-04 7.289923e-03 -6.000000e+00 1.963900e-01 223.05 -2.00 3.52 -2.00 320.57 0.00e+00 2.329389e-03 1.983628e-04 9.872259e-04 -6.000000e+00 8.693938e-03 279.33 -2.00 20.00 -2.00 320.04 0.00e+00 5.122 0.002 302.00 328.00 3 8.1561e-02 1.5029e-03 6.0560e-02 -6.0000e+00 4.8311e-01 4.3670e-02 1.9559e-03 3.3378e-02 -6.0000e+00 5.2432e-01 -3.4357e-02 1.9240e-03 1.8026e-02 -6.0000e+00 3.1283e-01 6.0644e-03 9.5365e-04 6.2666e-03 -6.0000e+00 1.3390e-01 1.5448e-03 -7.9666e-04 2.6401e-05 7.9124e-05 -6.0000e+00 9.8201e-03 -4.9853e-03 -5.3378e-05 11 8 0 10 0 0 -6.84 21.50 0.21 -0.00499 -0.01097 523 126 1 5 0 92.530 26.00 19.98 21.50 14.70 37.7 972.49 -105150 -128337 -72089 -136816 -152386 -131585 -81391 -116420 -51444 -101993 -64607 -90593 -34183 -60613 -9600 -37006 -7721 -29278 -4472 -22642 -4428 -23076 -3502 -18061 -752 -18031 -2877 -17993 -3596 -19459 2397 -6120 3770 -4562 -2031 -7135 497 -2924 2580 964 2184 1077 1648 996 2471 2769 1336 2842 1246 1786 3258 -2747 2633 3788 1140 2076 537 1515 -407 1343 239 3019 1867 4204 1265 72 142 -175 749 2739 389 1219 -466 852 -745 -997 -1479 -1653 -1234 -108 -1609 -787 -2045 -1911 -737 -224 388 608 1078 746 322 347 -1055 -511 474 273 -196 1088 684 -419 -247 -1816 -1952 -37 446 -1553 -414 -898 -194 347 937 284 213 -18 -175 -470 439 -195 868 381 -20 -326 884 168 864 364 -1306 176 1093 140 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