File name: Pandora64s1_NewHavenCT_20231116_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231117T065829.8Z 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_20231116_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: 20231116 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 20231116T122439.1Z 8720.517119 65 1 48.11 2 83.59 121.95 119.43 103.80 0.00 1 0.00 1 0 33 7.497e-01 5.006e-02 2.252e-01 1.361e-02 9.344136e-01 7.969369e-03 1.326988e-02 -6.000000e+00 4.454556e-01 223.15 -2.00 3.52 -2.00 321.77 0.00e+00 6.499710e-02 3.149974e-03 6.393436e-03 -6.000000e+00 1.982952e-02 280.11 -2.00 20.00 -2.00 321.34 0.00e+00 8.097 0.010 302.00 328.00 3 6.9387e-01 2.6027e-02 1.3402e-01 -6.0000e+00 1.0954e+00 2.1166e+00 2.9184e-02 1.6463e-01 -6.0000e+00 1.1885e+00 -2.4380e+00 1.5832e-02 2.3406e-02 -6.0000e+00 7.0959e-01 9.6119e-01 9.1671e-03 5.8496e-02 -6.0000e+00 3.0404e-01 2.0116e-05 -5.6807e-03 3.4189e-04 7.9700e-04 -6.0000e+00 2.2269e-02 -5.8428e-05 -9.5460e-05 12 8 8 10 0 0 16.59 20.98 0.28 -0.00006 -0.04275 32 8 1 5 0 1503.310 25.58 20.02 20.98 13.45 37.3 966.00 170116 217407 151356 294389 -52187 205225 85233 66124 -2593 109907 -69252 158290 -5208 104179 98211 196305 94011 285933 146557 245352 110828 900000 108908 67904 21364 28239 -40028 28975 23173 -63280 65205 89451 109838 128503 118655 33982 150124 57945 69938 39677 57268 17977 96721 -17138 53352 17595 115005 51891 80008 -2536 113289 58396 155997 24547 77403 13445 40670 -7974 35574 -7072 31685 10717 48600 19837 81169 19329 50564 51557 41847 14862 35702 26768 16111 -4777 -5476 -13021 24738 -6324 -7831 8535 4491 -20541 -2509 -6179 -4449 -5204 -582 428 -710 5629 -9283 -4597 -18561 -9090 -8608 -819 -6915 3873 170 3034 -1015 167 -8312 -2711 -6541 -5608 -7958 5186 -6014 -640 -2196 -74 -916 423 -1628 -1972 -1380 1185 -160 3585 2405 6382 2847 5536 5080 4187 -2148 2630 1818 1139 1362 -55 -60 -918 253 264 -1007 -610 1653 -452 -673 -3526 11095 10487 12716 5325 -18851 4702 4317 2791 -159 1723 -5359 2100 -415 4648 6395 5918 8729 4552 8307 4734 6950 900000 4203 2866 1082 1124 -2945 1118 1118 -8744 3774 4962 5563 5269 4579 2746 3983 3424 3627 2775 3315 1561 4491 -2397 3925 1995 5797 4818 5885 -446 6694 6267 7036 3730 6441 1929 4071 -1192 3303 -1040 3477 1680 6095 3804 8907 3893 7561 7772 7469 3800 7577 6069 3750 -1221 -1242 -2873 3729 -1441 -2219 2532 1484 -9854 -1073 -2828 -2090 -2548 -280 206 -342 2433 -4341 -1962 -9130 -4492 -5062 -544 -5863 3459 158 2938 -948 135 -6588 -2026 -5380 -4774 -7522 4764 -6548 -766 -3021 -107 -1350 606 -2320 -2799 -2027 1788 -257 5589 3637 8759 3902 7141 6407 5264 -2883 3768 3109 2262 3030 -124 -145 -2400 695 746 -2894 -1757 4550 -1191 -1644 -8231 SS 20231116T123507.3Z 8720.524390 68 1 48.12 2 81.94 123.81 117.62 105.21 0.00 1 0.00 1 0 25 3.751e-01 2.827e-02 1.127e-01 4.638e-03 8.315989e-01 2.651690e-03 1.017608e-02 -6.000000e+00 2.226563e-01 223.15 -2.00 3.52 -2.00 321.74 0.00e+00 2.864688e-02 1.400291e-03 1.363436e-03 -6.000000e+00 9.891202e-03 280.11 -2.00 20.00 -2.00 321.27 0.00e+00 6.674 0.005 302.00 328.00 3 9.8003e-01 9.4193e-03 8.1839e-02 -6.0000e+00 5.4768e-01 8.7152e-01 1.1933e-02 5.8033e-02 -6.0000e+00 5.9453e-01 -1.1743e+00 1.0336e-02 2.6583e-02 -6.0000e+00 3.5486e-01 4.8891e-01 4.9488e-03 2.6094e-02 -6.0000e+00 1.5176e-01 9.7951e-05 -3.1440e-03 1.2745e-04 4.0093e-04 -6.0000e+00 1.1139e-02 7.4848e-04 -1.4143e-04 12 8 8 10 0 0 -13.10 20.99 0.33 0.00075 -0.02288 87 21 1 5 0 553.090 25.58 19.99 20.99 14.28 37.1 969.37 -33902 -21668 -44133 -34778 -222369 -66587 -82654 -107368 -76330 -109313 -109060 -91573 -56861 -22766 46826 23595 26708 53734 27029 54746 31602 85907 46170 -6750 33318 38157 -23690 -36495 12618 -46458 23652 31235 33299 45704 45064 38916 32322 37554 43444 34380 28254 26417 37703 14800 41657 43097 48355 38624 41741 23758 38407 61044 52386 40704 27614 26087 20352 13906 22131 17503 19052 15658 22987 24563 32216 13229 19071 17822 14163 12019 9603 10741 5787 4393 2618 -3014 4298 -393 13 2499 -396 -4387 -1337 -2955 -2275 -1899 159 -1787 -527 -297 -2015 -1915 -5602 -6986 -5310 -3684 -3584 90 241 -184 -702 -2043 -5416 -2203 -2297 -4187 -3208 -2093 -1828 -715 -34 -450 -468 -213 -479 -1553 294 164 1483 1814 1754 1881 2742 2693 2748 2543 -539 1124 1457 1618 1371 486 64 -477 428 -573 -798 141 279 -647 -722 -2309 -571 -356 -925 -586 -19024 -1265 -1645 -2295 -1243 -2373 -2417 -2154 -1337 -525 699 534 652 1094 733 1114 757 1088 814 -186 573 604 -686 -1221 285 -2332 759 1102 1310 1592 1447 1320 1242 1512 1847 1757 1623 1625 2200 1022 2524 2709 3040 2865 3190 2139 3316 5025 4545 4167 3213 3046 2460 1721 2457 2080 2413 2343 3686 4383 5537 2730 3834 3795 3494 3380 2898 3211 1718 1212 660 -736 977 -102 4 839 -159 -2083 -662 -1564 -1272 -1106 94 -1092 -314 -168 -1090 -1000 -3063 -4276 -3760 -3052 -3208 89 254 -191 -676 -1776 -4899 -1985 -2037 -3963 -3260 -2311 -2284 -1009 -50 -686 -719 -319 -694 -2249 434 253 2377 2915 2719 2776 4195 3972 3950 3593 -788 1802 2509 3145 2957 1058 150 -1192 1129 -1473 -2073 367 752 -1656 -1729 -5286 SS 20231116T124605.1Z 8720.532004 71 1 48.46 2 80.25 125.81 115.74 106.69 0.00 1 0.00 1 0 25 5.414e-01 1.621e-02 7.342e-02 2.152e-03 7.347845e-01 1.205049e-03 8.619912e-03 -6.000000e+00 3.214806e-01 223.15 -2.00 3.52 -2.00 321.23 0.00e+00 8.429545e-03 5.931594e-04 2.880996e-03 -6.000000e+00 1.427579e-02 280.10 -2.00 20.00 -2.00 320.73 0.00e+00 5.638 0.003 302.00 328.00 3 1.0227e+00 4.0608e-03 6.8597e-02 -6.0000e+00 7.9078e-01 1.7806e-01 5.5425e-03 4.0405e-02 -6.0000e+00 8.5829e-01 -2.8042e-01 5.5815e-03 2.4795e-02 -6.0000e+00 5.1229e-01 1.1714e-01 2.6493e-03 1.1056e-02 -6.0000e+00 2.1919e-01 3.2774e-04 -1.3951e-03 6.1639e-05 1.6792e-04 -6.0000e+00 1.6080e-02 -7.4882e-04 -9.1635e-05 12 8 8 10 0 0 16.00 20.99 0.17 -0.00075 -0.01123 176 42 1 5 0 275.280 25.58 20.00 20.99 14.95 37.2 972.84 -194686 -122020 -174934 -128078 -307557 -168751 -185717 -134421 -146069 -141038 -164841 -113434 -120753 -73241 -46173 -34273 -38207 -9420 -26652 -21884 -16852 -23865 3309 -42507 -6963 -34338 -18932 -30009 -8822 -42354 6698 -3243 23800 -5318 15711 -13504 30387 -1704 19475 4028 20362 2782 17572 -276 19240 8403 20721 7318 16519 3407 17010 14063 18642 7723 11957 5480 7072 3189 6785 3343 5925 6039 9003 7877 7888 3174 4168 3668 3560 4761 1997 3111 704 1243 -95 -1483 -805 -1383 -1676 696 -1692 -1298 -2663 -2435 -1597 -974 -658 243 115 687 -907 -3 -2845 -1353 -1462 -579 -1395 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