File name: Pandora64s1_NewHavenCT_20250208_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250209T053711.7Z 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_20250208_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: 20250208 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 20250208T124739.9Z 9170.533101 216 1 49.58 2 81.74 118.12 109.95 347.78 0.00 1 0.00 1 0 25 7.008e-01 4.831e-02 2.173e-01 1.129e-02 9.539140e-01 6.561581e-03 1.198228e-02 -6.000000e+00 4.195157e-01 224.61 -2.00 3.52 -2.00 321.72 0.00e+00 5.534770e-02 2.792339e-03 4.570643e-03 -6.000000e+00 1.856385e-02 274.93 -2.00 20.00 -2.00 321.32 0.00e+00 6.540 0.005 302.00 328.00 3 2.1534e+00 2.1350e-02 1.0804e-01 -6.0000e+00 1.0395e+00 1.8228e+00 2.3737e-02 1.2817e-01 -6.0000e+00 1.1290e+00 -2.2111e+00 1.4600e-02 2.5014e-02 -6.0000e+00 6.6854e-01 9.1739e-01 7.9961e-03 4.8131e-02 -6.0000e+00 2.8381e-01 2.1025e-05 -5.0526e-03 2.8311e-04 6.8405e-04 -6.0000e+00 2.0869e-02 -3.1497e-03 7.2092e-06 12 8 8 10 0 0 96.69 21.55 0.17 -0.00315 -0.04112 18 4 1 5 0 2753.770 26.00 20.00 21.55 4.47 37.3 936.43 130305 135859 267163 116427 -78090 90176 100845 30480 900000 -5470 -64701 4163 99919 90979 146043 85851 128074 201288 120087 132940 900000 278064 316529 139365 44110 83529 43441 118277 32450 -59912 39466 65636 110302 113804 45224 127647 44841 87412 48443 61291 42433 59729 28757 9320 24194 68659 64999 78002 52591 12887 72678 100494 95951 49780 65338 18183 22968 10345 23542 30493 13827 31591 38230 10285 69962 20416 32002 47421 27501 21662 27351 24912 4893 1412 -8650 -14185 39246 -4163 600 1554 3453 -7695 -599 -6772 -2416 -10925 657 -3085 6238 -4946 -4461 -6310 -15507 -15318 -6473 -4077 -2283 -2206 4906 1997 2822 -992 -10601 -5038 -3648 -8669 -5497 508 -4969 -1765 214 -2335 -2946 -623 -1725 -3761 -359 1116 2415 4362 3499 6339 4610 6224 6578 4100 -2727 3459 1612 1091 715 514 189 255 50 -174 -1595 355 805 158 -2024 -3892 6932 7477 4411 6478 -20714 3853 2742 1224 900000 -198 -3679 156 2337 3299 4160 5197 5970 5123 6375 5767 900000 3060 3484 2588 1571 1839 1345 1790 1261 -7144 2530 3952 4785 5010 3221 3864 2845 3848 3011 3413 2857 3442 2402 996 2350 4579 4797 5454 5005 1820 6446 7157 7330 6091 6472 2524 2989 1413 2698 3336 1943 4275 5643 2176 9150 4107 5851 7626 5835 5364 6589 6048 1346 360 -2153 -3365 5743 -980 164 518 1320 -3531 -275 -3413 -1220 -6227 344 -1694 3082 -2610 -2184 -3012 -8139 -8847 -4080 -3051 -1907 -2155 4852 2010 2610 -838 -9297 -4159 -3140 -7762 -5149 494 -5844 -2327 298 -3563 -4598 -936 -2547 -5600 -535 1719 3841 6836 5285 9200 6540 8382 8572 5399 -3838 5106 2723 2132 1499 1169 460 660 133 -471 -4375 956 2103 405 -4883 -8842 SS 20250208T131309.1Z 9170.550800 227 1 48.19 2 77.61 122.76 110.70 353.42 0.00 1 0.00 1 0 25 4.409e-01 3.737e-02 1.289e-01 5.697e-03 6.934977e-01 3.136798e-03 8.665998e-03 -6.000000e+00 2.631455e-01 224.61 -2.00 3.52 -2.00 320.87 0.00e+00 3.457169e-02 1.224294e-03 1.204994e-03 -6.000000e+00 1.138246e-02 274.93 -2.00 20.00 -2.00 320.41 0.00e+00 4.530 0.002 302.00 328.00 3 3.6943e+00 9.5378e-03 6.0472e-02 -6.0000e+00 6.5054e-01 6.9018e-01 1.1388e-02 5.1931e-02 -6.0000e+00 7.0611e-01 -8.7477e-01 9.3965e-03 2.8243e-02 -6.0000e+00 4.1968e-01 3.8501e-01 4.7213e-03 3.2118e-02 -6.0000e+00 1.7812e-01 5.2560e-05 -3.5985e-03 1.5741e-04 3.9992e-04 -6.0000e+00 1.3096e-02 -7.6918e-04 -1.5822e-04 12 9 8 11 32 0 99.49 21.56 -0.22 -0.00077 -0.02781 17 4 1 5 0 2834.340 26.00 20.00 21.56 4.90 37.3 938.04 -2111 52504 58052 137999 -191694 44505 -72387 -3078 24111 87176 -71215 91177 -5944 37270 39741 80829 72999 120528 67910 141593 139309 166933 116273 82343 -3944 3261 408 21038 69025 -21228 24496 57739 69328 55424 56239 64733 43004 27901 38501 23584 33130 12600 32909 8939 39365 32887 53615 33113 49249 12188 53425 15066 46774 20870 26363 3823 12172 -4261 15774 3268 12039 11866 16339 7541 24226 7403 10934 10298 6856 3532 4165 -1177 1588 -2318 -4535 -7222 2698 -7263 -3678 820 -2333 -3768 -4153 -5472 -6339 -5310 -2765 36 1254 1331 -3687 -1520 -8100 -6116 -5568 -1402 -3906 822 1079 1945 284 -774 -5214 -516 -2702 -3484 -3093 1729 -2269 634 612 -40 -486 842 -773 -1012 -108 143 677 2572 1362 2794 2673 3675 2588 2562 -335 2325 2285 814 1445 655 164 -534 261 -635 -1012 -332 501 -1214 -1075 -2592 -58 995 1149 1763 -26774 709 -2681 -58 339 920 -2164 1165 -169 962 1312 2139 2338 2804 2452 2753 2612 2451 2261 2001 -184 136 17 797 1804 -1496 1474 2940 3573 3301 3037 3176 2760 2145 2938 2269 3041 1496 3425 1244 4270 4038 5627 4521 5990 2170 7248 3063 7658 4365 5133 910 2593 -1031 3076 748 2749 3088 4638 2486 7294 2572 3702 3598 2602 1542 1890 -566 705 -988 -1785 -2798 932 -2820 -1621 412 -1387 -2433 -2867 -4006 -4974 -4322 -2282 30 998 1007 -2734 -1047 -5856 -4656 -4861 -1317 -4359 955 1322 2304 332 -818 -5357 -520 -2961 -4009 -3647 2104 -3194 931 982 -67 -808 1329 -1184 -1522 -166 229 1136 4295 2237 4330 4016 5456 3759 3626 -482 3557 3817 1475 2836 1318 350 -1167 598 -1513 -2439 -800 1175 -2730 -2356 -5438 SS 20250208T131850.8Z 9170.554755 230 1 48.44 2 76.72 123.84 110.81 354.69 0.00 1 0.00 1 0 25 3.027e-01 2.624e-02 1.023e-01 4.066e-03 6.726564e-01 2.222799e-03 8.251303e-03 -6.000000e+00 1.807433e-01 224.61 -2.00 3.52 -2.00 320.63 0.00e+00 2.018010e-02 8.500572e-04 2.165562e-03 -6.000000e+00 7.814619e-03 274.93 -2.00 20.00 -2.00 320.16 0.00e+00 4.246 0.001 302.00 328.00 3 3.5735e+00 6.6746e-03 5.5087e-02 -6.0000e+00 4.4684e-01 3.8809e-01 8.2230e-03 3.6891e-02 -6.0000e+00 4.8488e-01 -4.7298e-01 7.4796e-03 2.7121e-02 -6.0000e+00 2.8819e-01 2.0589e-01 3.7559e-03 2.1727e-02 -6.0000e+00 1.2241e-01 8.7611e-05 -2.2038e-03 1.1517e-04 2.6122e-04 -6.0000e+00 8.9909e-03 -2.8765e-03 -5.3906e-05 12 8 8 10 0 0 99.46 21.57 -0.02 -0.00288 -0.01944 22 5 1 5 0 2201.420 26.00 20.00 21.57 4.92 37.3 938.29 -42077 -29945 -39728 -36017 -241881 -28378 -66487 -90951 -9932 -4137 13699 -38438 -38332 -44204 21178 26946 51592 34218 45138 58122 77725 69374 42142 55579 10275 12769 -8348 -4883 42860 -42727 18041 19973 29033 23431 30773 23579 28076 17805 24025 13764 15439 10148 18816 -574 15340 21106 28687 17575 18785 6605 22856 22515 21587 9865 9604 4923 2621 1270 6469 3247 3180 7202 8487 5192 10698 5267 4335 5665 3656 3094 708 -263 -1143 -2120 -2670 -3775 -485 -2724 -3621 -127 -3008 233 -3162 -3096 -3991 -3019 -1413 -589 579 449 -1354 -801 -5186 -3064 -3079 -451 -1907 1017 431 639 -141 -758 -2849 -503 -1280 -2449 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