File name: Pandora69s1_NewBrunswickNJ_20230619_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T235049.8Z 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_20230619_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: 20230619 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 20230619T103756.6Z 8570.443016 74 1 49.84 2 78.83 68.65 87.65 55.82 0.00 1 0.00 1 0 17 4.640e-01 1.258e-02 3.224e-01 8.935e-03 6.821959e-01 5.000819e-03 7.407830e-03 -6.000000e+00 2.768302e-01 232.90 -2.00 3.50 -2.00 321.30 0.00e+00 9.991001e-03 1.908776e-03 6.972000e-04 -6.000000e+00 1.150561e-02 287.29 -2.00 20.00 -2.00 320.98 0.00e+00 4.980 0.002 302.00 328.00 3 2.5607e+00 1.5235e-02 6.2219e-02 -6.0000e+00 7.0092e-01 2.2884e-01 2.1384e-02 3.7662e-02 -6.0000e+00 7.5938e-01 -1.8618e-01 2.5037e-02 2.0849e-02 -6.0000e+00 4.4398e-01 6.3451e-02 1.2390e-02 6.8827e-03 -6.0000e+00 1.8600e-01 1.2422e-04 -3.6662e-04 2.7168e-04 8.5214e-05 -6.0000e+00 1.3290e-02 1.4346e-02 1.1704e-04 12 8 8 10 0 0 77.80 22.74 0.83 0.01435 0.01159 21 4 1 5 0 2372.800 25.90 20.01 22.74 25.34 26.2 1043.22 15996 -200554 900000 -212611 900000 -191707 -132687 -142866 113323 -146166 -210396 900000 900000 145 -89676 -33954 22254 32989 -37709 35822 1096 -70493 81691 22823 33203 -24901 -45140 -65699 -39051 -26835 -27284 34022 -31642 -14307 4021 25705 10730 2458 -20742 8199 6766 -12759 256 5495 12124 -6351 13895 -2824 31356 19342 1316 11010 -1153 -2015 4859 12743 -7390 141 700 2310 8318 6265 5280 5745 3362 5753 -1138 8293 1590 1548 -159 4454 -87 4714 2163 994 -2602 2112 -4541 -1425 -1064 -305 -2250 -1362 142 544 2515 411 -1401 1034 1674 1381 -2231 448 -1156 -1192 -2425 1333 281 -1491 -1138 602 485 -204 -2109 -2178 -520 -133 278 -601 -558 396 -641 25 -588 1536 -664 511 705 -74 -185 334 229 433 1647 -315 1245 1448 746 -293 -547 574 76 193 -501 264 402 -249 319 -142 -424 -913 139 -3175 900000 -3702 900000 -2579 -1155 -1357 987 -1620 -4829 900000 900000 1 -1774 -457 213 316 -716 374 15 -1953 711 298 405 -512 -1143 -2028 -989 -722 -907 727 -1478 -566 127 692 382 113 -1445 493 450 -1101 20 431 921 -603 1122 -284 2382 1822 167 1394 -180 -340 792 1967 -1404 24 118 391 1435 1249 1216 1441 870 1430 -309 2179 506 556 -62 1678 -33 1571 666 283 -754 630 -1700 -613 -526 -168 -1348 -859 94 381 1789 303 -1033 700 1047 822 -1372 290 -875 -1053 -2516 1493 329 -1708 -1197 561 430 -191 -2140 -2324 -583 -161 372 -907 -835 656 -1054 40 -876 2208 -1007 807 1169 -125 -303 525 347 628 2270 -429 1681 2141 1254 -552 -1121 1130 158 429 -1188 642 994 -626 775 -327 -924 -2081 SS 20230619T104350.5Z 8570.447112 77 1 50.51 2 77.78 69.52 86.75 56.71 0.00 1 0.00 1 0 17 3.646e-01 9.722e-03 2.337e-01 6.052e-03 6.343084e-01 3.337349e-03 6.979493e-03 -6.000000e+00 2.166427e-01 232.90 -2.00 3.50 -2.00 321.11 0.00e+00 1.814064e-03 1.212164e-03 5.779125e-04 -6.000000e+00 8.499841e-03 287.29 -2.00 20.00 -2.00 320.78 0.00e+00 4.585 0.002 302.00 328.00 3 2.5504e+00 1.0048e-02 5.7405e-02 -6.0000e+00 5.4901e-01 1.4389e-01 1.3338e-02 3.4675e-02 -6.0000e+00 5.9462e-01 -1.3926e-01 1.4949e-02 1.8852e-02 -6.0000e+00 3.4807e-01 5.0554e-02 7.5364e-03 6.1237e-03 -6.0000e+00 1.4493e-01 2.0346e-04 -3.8129e-04 1.8673e-04 7.4696e-05 -6.0000e+00 1.0324e-02 1.5001e-02 4.7579e-05 12 8 8 10 0 0 63.82 22.75 0.56 0.01500 0.01214 28 6 1 5 0 1803.710 25.90 19.98 22.75 25.63 26.2 1045.21 -201401 -28571 -131877 -163708 -113169 -125258 10019 -151825 -36418 -101092 32085 -111553 -32688 -30342 -23377 -3263 -29186 -19510 -2626 58402 -57391 12870 -47451 -21348 -31097 -13053 -2061 -7311 -571 -320 15261 17397 24234 780 -3681 8990 -9436 17594 -1194 2932 -11779 6801 -7561 6074 -5526 13368 5973 6309 7709 5047 13125 -348 6736 744 3378 1347 1380 2996 130 3435 -515 7121 -896 3149 1459 729 2216 2970 3628 1069 2997 656 1070 -345 -526 800 682 1333 -1724 -1955 -1849 -1471 -2268 -2 -825 -1653 980 -583 787 -186 2039 -2016 -469 -253 -794 -439 459 494 -651 428 -984 226 610 -614 -1666 -1362 -465 -704 1475 -654 40 -716 768 -252 86 806 48 -46 -353 6 -52 647 -190 951 426 -109 1977 892 213 -299 118 -389 134 -24 -117 70 323 -88 -66 -94 -368 -377 -4300 -169 -1663 -2606 -1061 -1387 59 -2718 -241 -1318 189 -2083 -363 -412 -361 -48 -606 -405 -49 642 -1910 226 -1597 -607 -1030 -381 -54 -194 -15 -9 453 585 851 34 -164 378 -541 935 -92 251 -1261 645 -854 611 -633 1306 641 701 891 654 1757 -58 1148 144 669 282 293 615 27 696 -116 1661 -254 929 438 216 656 928 1274 433 1273 289 453 -138 -191 264 219 454 -697 -925 -1003 -883 -1467 -1 -600 -1275 765 -468 613 -138 1384 -1356 -308 -178 -637 -403 477 567 -778 488 -1057 220 569 -608 -1771 -1515 -545 -888 2000 -994 64 -1190 1234 -391 126 1166 72 -72 -584 9 -86 1021 -293 1391 606 -151 2695 1329 354 -547 229 -798 287 -55 -280 171 804 -221 -162 -220 -827 -817 SS 20230619T104914.8Z 8570.450866 80 1 49.28 2 76.82 70.32 85.92 57.51 0.00 1 0.00 1 0 25 2.708e-01 7.165e-03 1.471e-01 4.311e-03 5.942029e-01 2.350556e-03 6.572806e-03 -6.000000e+00 1.608842e-01 232.90 -2.00 3.50 -2.00 320.91 0.00e+00 1.069180e-03 8.134606e-04 5.044631e-04 -6.000000e+00 6.311835e-03 287.29 -2.00 20.00 -2.00 320.59 0.00e+00 4.273 0.001 302.00 328.00 3 2.3744e+00 6.9471e-03 5.3539e-02 -6.0000e+00 4.0771e-01 8.7010e-02 8.9439e-03 3.2266e-02 -6.0000e+00 4.4157e-01 -6.3267e-02 9.8131e-03 1.7319e-02 -6.0000e+00 2.5848e-01 1.4688e-02 5.0234e-03 5.5491e-03 -6.0000e+00 1.0763e-01 3.4571e-04 1.0845e-04 1.3389e-04 6.8485e-05 -6.0000e+00 7.6666e-03 1.4633e-02 4.7670e-05 11 8 0 10 0 0 86.91 22.75 0.47 0.01463 0.01545 39 8 1 5 0 1263.260 25.90 20.01 22.75 25.94 26.2 1047.08 -51751 -122487 -85297 -150919 -88637 -56945 -61579 -95224 -66773 -97343 -45434 -60609 -22050 -15267 -42549 -2235 -20159 -7484 12803 11201 -22087 -20339 -15769 -19761 14816 -16350 4174 -30761 -18104 -14208 10371 11896 1021 -8300 -4514 811 2461 -1696 -11967 -2443 -3598 3129 869 -1101 5118 4830 -6818 -1037 -1857 13 1982 3433 -672 6887 4258 2399 2272 1090 39 2371 367 2298 2250 1565 -225 2175 1747 592 1643 1587 1487 1174 -117 1482 -936 1232 -2451 -694 -1209 -1032 -964 -2859 -1882 -1964 -210 -502 165 480 1503 1103 1226 406 328 1566 -298 303 -596 831 -542 179 -64 -479 372 -1214 -972 -828 29 -1099 -77 -353 85 -79 -542 -243 -176 573 169 528 -71 -291 92 162 -178 526 555 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