File name: Pandora69s1_NewBrunswickNJ_20221227_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T221442.7Z 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_20221227_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: 20221227 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 20221227T154621.0Z 8396.657187 160 1 49.32 2 65.97 161.77 92.90 106.93 0.00 1 0.00 1 0 25 5.030e-02 7.220e-03 5.847e-02 5.164e-03 4.091461e-01 2.636975e-03 4.850993e-03 -6.000000e+00 2.882022e-02 223.22 -2.00 3.50 -2.00 319.39 0.00e+00 -9.043952e-04 6.217933e-04 1.793717e-04 -6.000000e+00 1.172569e-03 276.76 -2.00 20.00 -2.00 319.09 0.00e+00 2.438 0.000 302.00 328.00 3 4.7512e+00 7.1730e-03 3.1965e-02 -6.0000e+00 7.1405e-02 5.4326e-02 8.2789e-03 2.0685e-02 -6.0000e+00 7.7891e-02 1.5624e-02 6.8299e-03 1.0735e-02 -6.0000e+00 4.5935e-02 -1.5881e-02 3.6936e-03 3.2999e-03 -6.0000e+00 1.9520e-02 2.3133e-04 -5.0767e-04 1.5782e-04 3.9213e-05 -6.0000e+00 1.4208e-03 1.3300e-02 -1.0493e-04 11 8 0 10 0 0 99.98 22.64 0.25 0.01330 0.00949 18 4 1 5 0 2739.410 25.79 20.00 22.64 7.87 22.0 931.33 -8653 6966 -19632 -16582 -2131 -15971 15688 -2317 -14593 -9497 -23830 -19602 -12028 -6396 -8080 1480 1398 1241 765 1593 -353 -6742 3806 -4805 -1543 -5115 7055 -6422 1205 9341 -5557 521 1599 2310 -6183 -8505 -6592 -2764 -1485 645 644 1582 -232 -1182 -2030 -283 66 -265 1593 2876 17 2905 2483 2232 2697 1074 687 -1363 -1019 1593 2595 978 1200 -1319 1304 -1197 349 386 2066 131 157 324 1056 690 -1877 453 1275 -803 -623 -1321 -336 -1574 -2291 -1722 -315 -1097 20 414 736 559 95 -260 448 1357 -111 1003 390 314 -573 -115 34 -206 62 -920 -947 26 -657 -591 520 -48 92 -97 370 -201 -114 818 -203 190 -203 -538 -245 17 304 39 1481 -496 1716 272 485 596 -209 -500 -165 110 -278 -260 725 152 110 -92 -653 -438 -222 167 -601 -453 -48 -429 350 -69 -536 -346 -1027 -914 -612 -363 -537 99 100 94 61 130 -30 -614 338 -497 -164 -583 701 -680 116 897 -684 67 221 313 -871 -1297 -1125 -541 -345 168 180 457 -70 -360 -626 -86 20 -80 482 910 6 1075 987 942 1170 487 316 -628 -459 708 1208 504 675 -796 746 -665 188 215 1259 90 115 241 758 469 -1189 255 677 -446 -384 -931 -263 -1357 -2099 -1658 -320 -1179 22 461 801 574 91 -234 386 1204 -110 1093 476 416 -776 -148 41 -232 67 -1074 -1175 33 -891 -844 784 -78 155 -164 600 -308 -165 1145 -293 287 -324 -881 -397 27 465 58 2062 -675 2268 383 737 965 -356 -883 -300 209 -556 -534 1506 321 228 -184 -1265 -822 SS 20221227T155121.6Z 8396.660667 163 1 50.30 2 65.68 162.99 92.01 107.70 0.00 1 0.00 1 0 17 3.949e-02 5.756e-03 3.761e-02 3.473e-03 4.005815e-01 1.770700e-03 4.768861e-03 -6.000000e+00 2.263202e-02 223.22 -2.00 3.50 -2.00 319.29 0.00e+00 5.589482e-04 4.070051e-04 1.691270e-04 -6.000000e+00 9.205088e-04 276.76 -2.00 20.00 -2.00 318.99 0.00e+00 2.411 0.000 302.00 328.00 3 4.2292e+00 4.8076e-03 3.1486e-02 -6.0000e+00 5.6074e-02 4.8617e-02 5.5218e-03 2.0262e-02 -6.0000e+00 6.1163e-02 4.0746e-03 4.4734e-03 1.0483e-02 -6.0000e+00 3.6070e-02 -8.5144e-03 2.4220e-03 3.2085e-03 -6.0000e+00 1.5330e-02 4.0564e-04 -4.7902e-04 1.0598e-04 3.8064e-05 -6.0000e+00 1.1155e-03 1.2983e-02 -6.4883e-05 10 0 0 10 0 0 99.96 22.64 0.28 0.01298 0.00938 25 5 1 5 0 2011.700 25.79 20.00 22.64 7.87 22.0 931.55 -3455 10697 -23281 -3546 3144 6984 -20999 -11818 -8133 7260 -9419 10640 -1813 -11055 -2944 -5542 3418 -7067 2304 2864 2815 -9766 1792 -1778 -1204 -1279 1471 -3772 -2174 -448 404 -735 3201 -1056 597 -2106 -1985 -281 233 -2984 -1051 -246 389 -480 -1019 -590 415 1030 -2272 -150 266 883 1489 895 -456 1236 -254 1521 1293 1760 204 2012 2223 1028 261 741 -202 1679 346 -42 270 566 92 245 -290 102 -67 -548 -999 -866 -1229 -1788 -1643 -1012 -1198 -527 285 361 522 -50 137 513 827 623 477 112 820 445 -25 -455 -247 -331 585 -592 -1009 -1057 -737 -335 220 617 -156 -140 63 163 99 430 21 400 -363 -625 -245 608 411 56 263 -189 798 1040 184 552 -126 -1 200 199 -269 -390 229 -224 77 -449 143 -289 -93 272 -815 -95 74 165 -708 -409 -299 239 -375 395 -89 -702 -200 -426 257 -625 195 249 247 -980 172 -188 -133 -147 161 -409 -229 -50 50 -101 460 -156 83 -318 -339 -56 55 -832 -309 -75 121 -151 -325 -188 130 322 -744 -51 97 345 618 394 -210 573 -121 699 585 803 100 1057 1273 623 155 415 -112 945 218 -30 201 427 68 171 -185 59 -37 -311 -631 -619 -984 -1565 -1514 -978 -1237 -568 316 405 576 -53 133 465 720 563 472 124 1001 589 -34 -594 -302 -376 645 -695 -1259 -1375 -1004 -478 333 992 -263 -236 101 248 143 603 30 600 -578 -1021 -397 956 630 82 371 -258 1068 1462 279 890 -213 -3 358 374 -531 -792 471 -466 158 -892 273 -539 SS 20221227T155609.8Z 8396.664002 166 1 19.97 2 65.42 164.17 91.16 108.43 0.00 1 0.00 1 0 25 6.241e-02 7.918e-03 4.984e-02 5.549e-03 4.006107e-01 2.817067e-03 4.824542e-03 -6.000000e+00 3.575722e-02 223.22 -2.00 3.50 -2.00 318.96 0.00e+00 8.280170e-04 5.950232e-04 1.522385e-04 -6.000000e+00 1.455040e-03 276.76 -2.00 20.00 -2.00 318.67 0.00e+00 2.388 0.000 302.00 328.00 3 4.5661e+00 7.5820e-03 3.1347e-02 -6.0000e+00 8.8591e-02 6.4211e-02 8.6398e-03 2.0301e-02 -6.0000e+00 9.6641e-02 5.7681e-04 6.6466e-03 1.0416e-02 -6.0000e+00 5.6993e-02 -7.4768e-03 3.5963e-03 3.1415e-03 -6.0000e+00 2.4217e-02 2.9338e-04 -7.8319e-04 1.6662e-04 3.7251e-05 -6.0000e+00 1.7630e-03 1.3403e-02 -1.2404e-04 12 9 1 12 9 1 99.96 22.65 0.32 0.01340 0.00752 6 4 1 5 0 2826.890 25.90 20.00 22.65 7.95 22.0 931.99 -527 27978 -22934 -13820 -30679 -573 -12419 -21676 -22470 -18085 7727 10671 -2937 -8735 14828 -11979 1939 -16297 -5738 -5801 2581 4269 -4902 6454 -3892 1972 1737 6830 -639 3708 -2124 -2927 3472 -3587 3364 -4786 -395 -6081 2801 534 -878 -741 85 1797 -3122 4210 1124 -715 729 2289 1654 1002 2265 -130 2552 149 -210 160 -1258 -307 2814 1108 -406 454 153 2588 -1507 68 612 -95 1206 90 568 -671 1738 -306 661 -1259 -275 -494 -1775 -1523 -1468 -72 -860 -873 -536 706 290 -21 431 -19 868 713 444 412 -711 -326 690 -17 -353 -287 224 118 -2016 -656 -835 -505 617 919 359 -162 245 -41 62 -634 -207 -116 350 -540 -163 -99 -475 544 506 692 1252 1289 701 484 -428 -1 -72 815 -106 -203 221 -450 24 45 -214 -992 -16 717 -946 -480 -1171 -17 -455 -967 -1108 -885 306 464 -171 -635 999 -1145 173 -1837 -613 -640 264 436 -582 731 -511 253 219 774 -77 459 -309 -474 573 -626 525 -851 -76 -1460 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