File name: Pandora64s1_NewHavenCT_20250128_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250129T052528.5Z 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 v1.8.70 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250128_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: 20250128 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 20250128T125039.9Z 9159.535184 65 1 48.06 2 83.43 121.08 82.81 134.57 0.00 1 0.00 1 0 46 1.079e+00 5.272e-02 3.465e-01 1.708e-02 9.247452e-01 9.963568e-03 1.320534e-02 -6.000000e+00 6.439225e-01 224.20 -2.00 3.52 -2.00 321.74 0.00e+00 7.736156e-02 4.088405e-03 9.133528e-03 -6.000000e+00 2.796206e-02 274.95 -2.00 20.00 -2.00 321.34 0.00e+00 7.943 0.009 302.00 328.00 3 1.1617e+00 3.2310e-02 1.5076e-01 -6.0000e+00 1.5899e+00 2.1648e+00 3.5412e-02 1.9709e-01 -6.0000e+00 1.7252e+00 -2.4342e+00 1.9983e-02 2.3329e-02 -6.0000e+00 1.0260e+00 9.7372e-01 1.1315e-02 6.9465e-02 -6.0000e+00 4.3678e-01 1.3570e-05 -5.2198e-03 4.3004e-04 9.4776e-04 -6.0000e+00 3.2060e-02 7.3259e-04 6.7073e-05 12 8 8 10 0 0 99.96 21.20 -0.06 0.00073 -0.03849 20 5 1 5 0 2402.290 25.68 20.01 21.20 8.92 38.2 954.98 215590 358607 484366 340963 -42518 234430 78483 115563 294125 14117 37044 208830 -4131 77344 203014 205818 144177 390166 159837 339124 185940 900000 263940 196216 41849 50680 -31385 121686 12960 -48676 13760 113055 88826 167828 108796 266303 23175 98203 31974 13158 93473 48748 9221 3501 44068 82668 73427 97156 76519 12185 77247 30725 180967 18283 52087 10393 17308 36830 65068 10239 17673 19380 59763 -6732 76647 30671 38311 54202 33527 17371 37946 6652 9526 -9295 1660 -19216 57701 -16075 -7349 6659 12637 -17967 945 -5930 -2920 -11861 4735 -5508 15748 -1190 -6846 -1465 -19580 -21431 -7368 -3197 -6743 1330 5082 3179 720 3642 -7959 -6529 -8491 -5414 -7032 3856 -3961 -1556 1 -3745 -3574 703 -2535 -4311 -940 1590 253 6895 2968 6466 5318 6750 2836 3842 -3738 5182 971 1876 648 603 -393 821 639 -317 -1372 -120 902 -208 -2606 -2553 10978 5970 8064 5676 -15943 5204 4535 3126 4897 543 1002 3477 -321 4620 5633 6639 9177 6495 9235 5646 6771 900000 4394 3267 1742 1687 -1967 2170 742 -6303 1374 5882 6263 5960 5547 4433 2179 4394 2505 1211 3988 3297 948 415 3798 5677 5681 6874 6594 1972 7338 4575 7230 3044 5968 1519 2254 3607 4942 1334 2388 2850 7316 -1743 9683 5730 6697 8652 6636 4402 7967 1858 2379 -2493 352 -4532 6668 -4088 -2114 2063 4301 -8847 409 -2821 -1405 -6454 2253 -2939 6734 -577 -3263 -629 -10036 -12318 -4409 -2252 -5641 1208 4843 3053 655 2822 -6188 -4968 -6955 -4479 -6397 3479 -4424 -1963 1 -5529 -5332 1037 -3577 -6144 -1350 2348 398 10222 4602 9134 7312 8832 3756 4980 -5240 7445 1641 3618 1418 1428 -959 2101 1734 -893 -3910 -340 2469 -539 -6388 -6077 SS 20250128T130019.9Z 9159.541898 68 1 48.29 2 81.89 122.80 81.57 136.28 0.00 1 0.00 1 0 25 4.711e-01 2.370e-02 1.228e-01 3.937e-03 8.637985e-01 2.238968e-03 9.697637e-03 -6.000000e+00 2.806999e-01 224.20 -2.00 3.52 -2.00 321.76 0.00e+00 2.211965e-02 1.160873e-03 3.226868e-03 -6.000000e+00 1.216186e-02 274.95 -2.00 20.00 -2.00 321.33 0.00e+00 6.642 0.005 302.00 328.00 3 7.6231e-01 7.8259e-03 8.7696e-02 -6.0000e+00 6.9329e-01 7.1107e-01 1.0504e-02 7.0589e-02 -6.0000e+00 7.5273e-01 -9.5833e-01 1.0415e-02 2.5857e-02 -6.0000e+00 4.4754e-01 4.0575e-01 4.9177e-03 2.3251e-02 -6.0000e+00 1.9010e-01 1.2746e-04 -2.7034e-03 1.0871e-04 2.8081e-04 -6.0000e+00 1.3990e-02 -1.4180e-06 -1.4183e-04 12 9 8 11 8 0 3.68 21.21 0.16 -0.00000 -0.02032 111 27 1 5 0 434.930 25.68 20.00 21.21 9.25 38.0 956.60 -147376 -65380 -77981 -69118 -272332 -121376 -177822 -130031 -150259 -89566 -155559 -77796 -112694 -56418 -43953 -8953 -22006 66172 386 53417 -1759 24924 33427 -461 -33937 -17350 -25241 -12257 -10344 -36215 23725 15455 34616 37189 43025 18634 38024 24584 45798 22598 36889 27694 39697 11309 46264 31821 59262 23865 33594 8703 42023 25012 53767 27040 29879 13873 17210 10581 21288 15065 16121 10220 21587 10565 24667 13450 16262 11961 12571 8184 8496 7816 4626 3206 1607 -827 4532 -1555 -84 3095 -421 -309 -2242 -2611 -1887 -1041 -187 284 967 1522 -1417 -1949 -5765 -3485 -3273 -2285 -2757 460 182 -53 -669 -1592 -4180 -177 -2118 -3309 -3006 -1509 -2448 -734 -702 -820 -1142 -47 -826 -870 212 561 1210 1955 1091 1775 2117 2252 2549 2073 -719 994 1749 955 1140 -29 -114 -71 605 -310 -773 102 590 -468 -563 -2295 -3034 -728 -1018 -743 -16291 -1771 -3909 -1897 -2412 -860 -2769 -896 -2360 -1018 -911 -158 -498 686 8 656 -36 364 436 -8 -808 -346 -543 -235 -214 -1196 556 469 997 1056 1074 601 1095 915 1582 1002 1519 1324 1787 699 2099 1755 2889 1624 2227 811 3153 2444 4241 2963 3222 1762 2090 1326 2333 1787 2042 1569 3420 1943 4111 2508 3074 2495 2936 2238 2438 2270 1314 848 388 -188 982 -393 -25 1083 -178 -149 -1094 -1349 -1031 -591 -109 167 557 829 -748 -1002 -3129 -2051 -2266 -1861 -2641 454 191 -55 -642 -1478 -3699 -155 -2012 -3327 -3031 -1647 -3067 -1033 -1026 -1262 -1777 -71 -1299 -1354 316 869 1951 3134 1695 2792 3219 3295 3628 2907 -1042 1584 3003 1872 2317 -63 -269 -179 1516 -806 -2037 267 1504 -1200 -1349 -5258 SS 20250128T131104.1Z 9159.549353 71 1 48.16 2 80.21 124.74 80.23 138.22 0.00 1 0.00 1 0 25 6.099e-01 1.291e-02 6.155e-02 1.823e-03 7.598453e-01 1.020376e-03 8.606001e-03 -6.000000e+00 3.635335e-01 224.20 -2.00 3.52 -2.00 321.21 0.00e+00 5.449960e-03 4.765889e-04 1.566325e-03 -6.000000e+00 1.574642e-02 274.95 -2.00 20.00 -2.00 320.76 0.00e+00 5.620 0.003 302.00 328.00 3 7.1755e-01 3.3341e-03 6.8953e-02 -6.0000e+00 8.9789e-01 1.6649e-01 4.6093e-03 4.1357e-02 -6.0000e+00 9.7477e-01 -2.2196e-01 4.9065e-03 2.4008e-02 -6.0000e+00 5.7955e-01 8.8378e-02 2.3458e-03 1.0062e-02 -6.0000e+00 2.4625e-01 4.4108e-04 -1.0639e-03 5.1934e-05 1.3706e-04 -6.0000e+00 1.8116e-02 -8.3317e-04 -9.6685e-05 12 8 8 10 0 0 8.78 21.21 0.21 -0.00083 -0.00883 223 54 1 5 0 215.910 25.68 20.00 21.21 9.55 38.2 958.61 -233057 -190033 -193548 -199342 -289954 -203768 -180499 -172483 -145554 -164449 -157627 -142833 -104290 -104177 -70715 -62164 -32619 -49738 -18224 -49942 -29530 -39416 -10567 -49543 -16610 -35355 -6788 -56103 7479 -50283 15283 -20718 10369 -20084 5980 -17064 6637 -10700 16255 66 20349 3580 11922 -3262 11606 5635 13420 5457 9630 963 12401 8047 13444 8671 8897 5018 5761 3130 5249 3691 5493 5941 6178 7070 5425 2851 2957 2508 2675 3754 1630 2763 46 657 -1916 -980 -1440 -1875 -1786 603 -1925 -250 -2352 -2525 -1104 -573 -215 460 392 610 -460 387 -2512 -1035 -649 -43 -867 1060 428 -170 -448 -1529 -2546 -65 -196 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