File name: Pandora69s1_NewBrunswickNJ_20230515_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T232513.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20230515_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20230515 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- 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 20230515T102642.9Z 8535.435218 113 1 49.32 2 82.88 71.24 61.35 122.46 0.00 1 0.00 1 0 17 4.642e-01 2.920e-02 4.143e-01 2.304e-02 1.030693e+00 1.425738e-02 1.088233e-02 -6.000000e+00 2.802492e-01 231.11 -2.00 3.50 -2.00 322.29 0.00e+00 7.777081e-03 6.067400e-03 1.468020e-03 -6.000000e+00 1.242491e-02 283.84 -2.00 20.00 -2.00 321.95 0.00e+00 7.421 0.007 302.00 328.00 3 7.8482e-01 4.7003e-02 9.3355e-02 -6.0000e+00 7.0812e-01 1.6228e+00 5.6884e-02 5.4862e-02 -6.0000e+00 7.7035e-01 -1.9476e+00 5.0776e-02 2.9555e-02 -6.0000e+00 4.4879e-01 7.5908e-01 2.6991e-02 1.0171e-02 -6.0000e+00 1.8901e-01 3.9912e-05 -1.8834e-04 6.7451e-04 1.5773e-04 -6.0000e+00 1.3640e-02 1.4452e-02 1.1348e-04 12 8 8 10 0 0 26.85 22.82 0.81 0.01445 0.01304 24 5 1 5 0 2054.450 26.00 19.98 22.82 15.46 25.0 997.63 900000 20815 -64459 -10623 -28964 19193 900000 -88674 900000 -53690 900000 -71896 18940 -63380 5458 900000 36154 10424 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3507 4461 4633 2650 192 3650 3447 4749 2817 4065 1902 1883 5148 -520 5631 68 3984 -552 811 3042 1424 2221 -216 1656 -3539 5130 2625 -2525 -1696 4344 -89 2773 2529 -3933 2613 -4701 -1968 -3099 2060 -5935 -2384 887 -2138 -190 -2762 2481 850 -755 -2182 -3585 -2921 -3276 -1264 -2594 3716 -4421 -1087 -5381 -1025 -355 -1537 3447 1302 4027 -3199 3784 19 4452 1740 -774 4329 4239 4997 -1790 4187 -2276 3623 -2629 513 -2567 227 3211 2275 -650 -3821 732 -3593 -624 SS 20230515T103725.6Z 8535.442657 116 1 49.79 2 80.94 72.89 59.66 124.75 0.00 1 0.00 1 0 17 6.722e-01 1.382e-02 3.279e-01 6.333e-03 8.931320e-01 3.684434e-03 9.455255e-03 -6.000000e+00 3.968436e-01 231.11 -2.00 3.50 -2.00 322.03 0.00e+00 3.903552e-03 1.599240e-03 1.264475e-03 -6.000000e+00 1.566934e-02 283.85 -2.00 20.00 -2.00 321.68 0.00e+00 6.021 0.004 302.00 328.00 3 6.7564e-01 1.2099e-02 7.8007e-02 -6.0000e+00 1.0013e+00 5.1638e-01 1.8780e-02 5.0466e-02 -6.0000e+00 1.0859e+00 -6.4741e-01 2.2524e-02 2.9644e-02 -6.0000e+00 6.3657e-01 2.5537e-01 1.0720e-02 1.0427e-02 -6.0000e+00 2.6608e-01 2.4647e-04 -4.4671e-04 1.8787e-04 1.3795e-04 -6.0000e+00 1.9024e-02 1.4716e-02 6.8366e-05 12 8 8 10 0 0 38.42 22.83 0.47 0.01472 0.01136 78 16 1 5 0 638.220 26.00 20.00 22.83 16.76 25.0 1006.01 -234387 -158327 -248705 -195179 -165124 -269323 -94346 -162260 -116719 -278683 -190694 -204224 -111854 -49848 -91489 -79037 -32334 191203 -59923 -2912 -55648 -3602 -78217 86575 -43747 5672 -1635 -68428 -31469 1194 124781 -22918 49844 -23505 45515 38222 -32051 6515 24150 29710 10255 5580 713 28940 10447 13413 1077 -3827 13075 15086 22077 16454 24844 11312 11162 11812 12872 13855 2833 2682 7461 14998 15632 15343 8975 13346 6413 8389 8846 5348 9036 4570 7134 5127 1277 -619 -3641 -2956 -2746 -144 934 304 -1594 -571 -1175 601 748 1310 820 -1103 1494 -270 -218 -2693 -2455 -1545 -842 -1321 -971 -745 -730 11 -552 -952 -1604 -1616 -1330 -1593 -395 -872 -492 -844 -302 -123 441 334 185 76 282 641 407 1393 268 1186 838 614 1338 799 423 479 148 314 -82 113 -108 -105 485 -83 -312 -288 -397 -605 -3026 -1067 -4188 -1753 -1020 -4838 -583 -1184 -721 -7509 -2355 -3669 -1067 -369 -1181 -1065 -339 1181 -875 -27 -781 -33 -1493 535 -729 60 -18 -1306 -486 16 771 -540 708 -633 646 614 -1080 179 678 917 420 254 35 1088 481 617 59 -234 734 932 1450 1275 1953 1105 1147 1247 1351 1392 305 289 821 1743 2097 2300 1471 2113 1141 1592 1752 1241 2153 1143 1648 1100 277 -125 -762 -684 -698 -43 324 120 -695 -262 -579 306 392 688 423 -545 674 -120 -100 -1417 -1519 -1124 -715 -1279 -976 -720 -647 9 -408 -734 -1322 -1404 -1243 -1651 -460 -1170 -729 -1316 -468 -186 635 478 274 119 456 1029 627 2024 380 1596 1096 786 1739 1176 723 928 319 725 -204 299 -283 -282 1314 -227 -893 -767 -984 -1419 SS 20230515T104906.0Z 8535.450764 121 1 49.88 2 78.81 74.67 57.86 127.34 0.00 1 0.00 1 0 25 5.320e-01 8.443e-03 1.541e-01 2.676e-03 7.605974e-01 1.492970e-03 8.167248e-03 -6.000000e+00 3.140441e-01 231.11 -2.00 3.50 -2.00 321.50 0.00e+00 3.072916e-03 5.991785e-04 8.504564e-04 -6.000000e+00 1.240013e-02 283.85 -2.00 20.00 -2.00 321.17 0.00e+00 4.973 0.002 302.00 328.00 3 5.9874e-01 4.6021e-03 6.4698e-02 -6.0000e+00 7.9237e-01 1.9138e-01 6.8297e-03 4.1936e-02 -6.0000e+00 8.5933e-01 -2.1021e-01 8.2789e-03 2.4063e-02 -6.0000e+00 5.0376e-01 7.5983e-02 4.0358e-03 8.2253e-03 -6.0000e+00 2.1056e-01 8.5687e-04 4.3294e-05 7.8950e-05 9.6304e-05 -6.0000e+00 1.5055e-02 1.4780e-02 6.7893e-05 11 8 0 10 0 0 21.45 22.83 0.35 0.01478 0.01511 154 32 1 5 0 323.730 26.00 20.00 22.83 18.04 25.1 1015.88 -225408 -115241 -186859 -118619 -176590 -221435 -145496 -218877 -125647 -191575 -30737 -163267 -14136 -91373 -59425 -27910 -68866 -7160 -51086 -3172 -85117 13245 -48626 -11085 -14798 -41527 -6983 -47721 22944 -33544 2774 -22972 7677 -19721 -18570 -21721 -15970 7149 -4072 16304 -5917 14891 -1344 4908 5281 3812 6861 118 12752 380 10548 351 8292 5100 6494 5819 1916 6230 -2330 6105 1273 5146 3550 6679 956 1208 2771 1091 4969 1473 3484 701 2181 -275 296 -239 -2169 -951 -1741 -424 -2031 -833 -2077 -1450 -1173 -409 337 445 1388 -33 867 -903 527 -593 -425 -158 333 265 -421 375 -475 -24 -155 -727 -1704 -1097 -283 -710 43 -592 94 -436 332 -312 331 546 277 75 -184 -43 206 524 -137 481 525 -64 1525 535 285 88 192 -256 327 -142 -224 -110 294 -14 -437 144 -328 -49 -2406 -511 -1595 -526 -1336 -2521 -949 -3063 -852 -2453 -96 -2207 -63 -1040 -682 -277 -1062 -73 -788 -35 -1938 128 -865 -162 -239 -837 -109 -996 275 -772 55 -697 195 -664 -599 -773 -621 268 -210 800 -399 869 -96 336 369 279 508 10 1016 35 997 41 984 679 896 840 291 886 -351 853 201 886 714 1432 220 276 645 279 1395 484 1200 251 734 -87 84 -62 -572 -271 -591 -169 -958 -437 -1186 -876 -757 -276 233 311 940 -21 518 -527 307 -383 -318 -138 336 300 -459 422 -495 -23 -137 -679 -1709 -1151 -316 -870 54 -844 145 -699 521 -474 476 774 407 117 -298 -71 322 783 -199 718 757 -90 2142 841 473 164 389 -555 746 -346 -582 -274 739 -36 -1161 358 -767 -109 SS 20230515T105448.9Z 8535.454732 124 1 49.73 2 77.76 75.54 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