File name: Pandora55s1_QueensNY_20240701_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240702T050920.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240701_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240701 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240701T100225.1Z 8948.418346 173 1 52.01 2 85.17 63.53 43.65 108.74 0.00 1 0.00 1 0 25 9.442e-01 1.369e-01 3.126e-01 3.203e-02 9.740908e-01 2.196512e-02 1.086641e-02 -6.000000e+00 6.470842e-01 232.90 -2.00 3.51 -2.00 321.16 0.00e+00 3.013108e-02 4.937452e-03 8.949234e-03 -6.000000e+00 3.124520e-02 288.32 -2.00 20.00 -2.00 320.37 0.00e+00 10.037 0.018 302.00 328.00 3 -5.8094e-01 6.5519e-02 1.3715e-01 -6.0000e+00 1.6216e+00 3.1807e+00 7.4619e-02 1.2860e-01 -6.0000e+00 1.7610e+00 -2.6557e+00 3.9278e-02 2.4827e-02 -6.0000e+00 1.0409e+00 6.7848e-01 2.4070e-02 3.4173e-02 -6.0000e+00 4.3600e-01 6.9153e-06 -1.3845e-03 1.0040e-03 4.6965e-04 -6.0000e+00 3.4263e-02 1.1538e-02 0.0000e+00 12 9 8 11 36 0 29.34 22.67 1.05 0.01154 0.00113 16 3 1 5 0 3250.170 26.21 20.01 22.67 23.50 37.4 1066.49 145317 900000 116771 900000 900000 434172 900000 900000 289080 -21769 50447 20773 25624 900000 900000 68802 -49435 900000 900000 186229 233648 900000 900000 119165 70956 900000 81477 -9041 3420 113729 900000 183332 210424 234201 900000 48451 -634 900000 900000 48652 900000 5775 94006 249577 900000 44563 900000 900000 900000 55187 900000 8440 900000 900000 900000 900000 900000 900000 900000 900000 900000 65606 -59555 900000 137282 900000 163 900000 199348 135627 900000 900000 -3563 900000 83049 900000 900000 -274 50234 -16133 900000 39056 176371 1919 156050 -27043 41352 -16948 63712 35079 -17681 110018 25434 11136 25256 -6065 10146 31735 30405 24548 15935 7761 81083 61317 18932 -1677 -1467 20767 -4628 30595 -23691 10468 -1543 -14165 -13516 3719 24603 -115 4572 -19093 -7168 24261 56042 -3784 8743 -21327 -2566 -15120 -11907 4093 17001 6085 4253 3494 -5978 3196 -504 3812 -6031 -1231 -5177 11435 2415 28554 900000 26454 900000 900000 13425 900000 900000 8939 -4859 5536 3573 5478 900000 900000 16205 -37102 900000 900000 12543 8531 900000 900000 8355 6909 900000 5724 -1464 514 6838 900000 7885 7216 7242 900000 6108 -127 900000 900000 6853 900000 1227 8459 7717 900000 6213 900000 900000 900000 7666 900000 2035 900000 900000 900000 900000 900000 900000 900000 900000 900000 7462 -25036 900000 9883 900000 43 900000 8365 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1.2537e-02 -6.0000e+00 2.6710e-01 1.1874e-04 -1.4796e-03 1.3921e-04 1.5955e-04 -6.0000e+00 2.0352e-02 1.1550e-02 0.0000e+00 12 9 8 11 4 0 15.35 22.66 0.30 0.01155 0.00043 78 15 1 5 0 647.160 26.11 20.01 22.66 23.81 37.5 1068.67 -193448 900000 -215533 900000 -56563 -90270 900000 900000 -20355 -204373 -114041 -176606 -149021 900000 38523 -103743 900000 900000 900000 -53278 164308 900000 -102549 16324 -29037 900000 -4308 -25188 -105751 26035 211377 75439 11801 44480 900000 15856 18430 62121 900000 24476 163432 10417 53852 58526 900000 25107 145847 135880 107749 46900 57924 16659 110629 137911 67007 80159 62663 87887 48558 28289 83416 32651 9728 44657 8505 43135 10402 17976 23613 17576 17267 26043 2153 29285 8700 19895 26827 2887 -1669 -1920 16793 1909 4650 -3167 359 -4965 -309 -4064 -110 -1239 -2155 -250 -54 -1172 -1554 -3952 -4412 -2110 -2975 -2308 -2527 -611 1141 656 -3305 -1410 -3754 -1661 417 -1108 -3715 -1567 -1158 -1126 -83 490 1675 811 -171 -974 351 2312 4276 1668 1432 1024 2393 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-6.000000e+00 4.397275e-01 232.90 -2.00 3.51 -2.00 321.31 0.00e+00 6.220016e-03 6.268559e-04 1.108920e-03 -6.000000e+00 2.029935e-02 288.32 -2.00 20.00 -2.00 320.72 0.00e+00 5.917 0.004 302.00 328.00 3 1.9915e-01 4.2423e-03 7.3287e-02 -6.0000e+00 1.1024e+00 1.6151e-01 6.0824e-03 4.4081e-02 -6.0000e+00 1.1901e+00 -1.5902e-01 6.1242e-03 2.4898e-02 -6.0000e+00 7.0618e-01 5.4877e-02 2.8379e-03 1.1656e-02 -6.0000e+00 2.9698e-01 5.1955e-04 -3.0723e-04 5.7468e-05 1.3780e-04 -6.0000e+00 2.2152e-02 1.1195e-02 0.0000e+00 12 9 8 11 4 0 33.77 22.83 0.28 0.01120 0.00889 173 33 1 5 0 291.810 26.21 20.00 22.83 24.25 37.3 1070.46 -285099 900000 -277356 -162999 -129752 -228725 900000 -132015 -223902 -231868 -208108 -175849 -170885 900000 -61351 -100897 -115384 365505 53268 -102531 2684 -17870 -79261 -38402 -51558 900000 -31451 -48621 -81137 -24428 -3405 -14597 -36309 -9870 52747 -17277 -22509 10770 18708 -5046 4292 -7943 350 1526 22945 -5402 9765 10196 12460 433 8887 -1395 16279 12814 5581 8371 3002 8331 2641 4220 5821 5733 -81 6921 384 6865 1297 3437 3970 1186 2902 1743 -495 1709 200 1049 3209 355 -670 -1038 1322 -890 -988 -1952 -814 -2063 -1409 -1089 -484 216 145 582 1014 325 837 -368 99 -680 -608 -272 -732 -208 1028 -337 -1235 -842 -1253 -83 69 -247 -985 -206 -213 -140 452 866 736 685 -33 -828 154 581 459 47 195 153 1132 811 -124 482 270 547 301 246 -418 -199 225 -366 -600 -80 -133 -115 72 -3524 900000 -3790 -719 -403 -1944 900000 -552 -2526 -3076 -2512 -1961 -2421 900000 -510 -1473 -2219 736 248 -2240 22 -185 -1566 -562 -916 900000 -487 -905 -2191 -453 -64 -370 -1279 -283 841 -551 -856 361 703 -273 238 -530 23 101 1299 -411 678 752 970 42 887 -171 1878 1650 815 1249 478 1261 413 655 938 1032 -18 1554 97 1649 332 919 1182 406 1060 660 -188 601 66 316 920 110 -237 -435 624 -481 -580 -1225 -534 -1442 -1019 -803 -353 152 97 372 640 217 621 -313 95 -732 -698 -314 -811 -213 976 -323 -1237 -886 -1379 -97 87 -341 -1483 -324 -341 -220 689 1290 1102 1058 -53 -1371 252 918 707 71 286 220 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