File name: Pandora69s1_NewBrunswickNJ_20230715_L2Fit_fwvt1c23d20210421p1-8.txt File generation date: 20230716T152230.9Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20230715_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: 20230715 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: 1681 1831 Nominal wavelengths inside fitting window [nm]: 492.0405 492.1612 492.2819 492.4027 492.5234 492.6440 492.7647 492.8854 493.0060 493.1266 493.2472 493.3678 493.4883 493.6089 493.7294 493.8499 493.9704 494.0909 494.2114 494.3318 494.4523 494.5727 494.6931 494.8134 494.9338 495.0541 495.1745 495.2948 495.4151 495.5354 495.6556 495.7759 495.8961 496.0163 496.1365 496.2567 496.3768 496.4970 496.6171 496.7372 496.8573 496.9774 497.0975 497.2175 497.3375 497.4575 497.5775 497.6975 497.8175 497.9374 498.0573 498.1772 498.2971 498.4170 498.5369 498.6567 498.7765 498.8963 499.0161 499.1359 499.2556 499.3754 499.4951 499.6148 499.7345 499.8542 499.9738 500.0934 500.2131 500.3327 500.4523 500.5718 500.6914 500.8109 500.9304 501.0499 501.1694 501.2889 501.4083 501.5278 501.6472 501.7666 501.8859 502.0053 502.1247 502.2440 502.3633 502.4826 502.6019 502.7211 502.8404 502.9596 503.0788 503.1980 503.3172 503.4363 503.5555 503.6746 503.7937 503.9128 504.0319 504.1509 504.2700 504.3890 504.5080 504.6270 504.7460 504.8649 504.9838 505.1028 505.2217 505.3405 505.4594 505.5783 505.6971 505.8159 505.9347 506.0535 506.1722 506.2910 506.4097 506.5284 506.6471 506.7658 506.8845 507.0031 507.1217 507.2403 507.3589 507.4775 507.5961 507.7146 507.8331 507.9516 508.0701 508.1886 508.3070 508.4255 508.5439 508.6623 508.7807 508.8990 509.0174 509.1357 509.2540 509.3723 509.4906 509.6089 509.7271 509.8453 509.9635 --------------------------------------------------------------------------------------- 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: Water vapor slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor 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: Water vapor effective temperature [K] Column 28: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for water vapor [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Nitrogen dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen 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: Nitrogen dioxide effective temperature [K] Column 39: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for nitrogen dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 45: 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 46: 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 47: 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 48: 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 49: Ozone effective temperature [K] Column 50: 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 51: 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 52: 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 53: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 54: 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 55: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 56: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 57: Lower limit used for wavelength scaling [nm] Column 58: Upper limit used for wavelength scaling [nm] Column 59: Order of smoothing polynomial Column 60: Smoothing polynomial coefficient, order 0 Column 61: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 62: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 63: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 64: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 65: Smoothing polynomial coefficient, order 1 Column 66: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 67: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 68: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 69: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 70: Mean value of measured data inside fitting window [same units as measurements] Column 71: Wavelength change polynomial coefficient, order 0 Column 72: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 76: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 77: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 78: 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 79: 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 80: 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 81: 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 82: 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 83: 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 84: Atmospheric variability [%], 999=no atmospheric variability was determined Column 85: Wavelength effective temperature [°C], 999=no effective temperature given Column 86: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 87: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 88: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 89: Number of bright count cycles Column 90: Number of dark count cycles Column 91: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 92: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 93: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 94: Integration time [ms] Column 95: Temperature at electronics board [°C], 999=no temperature signal Column 96: Spectrometer control temperature [°C], 999=no temperature signal Column 97: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 98: Temperature in head sensor [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-251: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 252-402: 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 --------------------------------------------------------------------------------------- SQ 20230715T095950.8Z 8596.416560 117 1 17.04 2 87.51 63.53 64.20 75.41 0.00 1 0.00 1 0 29 9.992e-03 9.893e-03 9.505e-04 9.480e-04 2.396055e+04 7.914144e+01 1.476162e+03 -6.000000e+00 6.164683e+02 289.75 -2.00 20.00 -2.00 505.42 0.00e+00 5.000923e-03 2.788965e-05 2.966415e-04 -6.000000e+00 2.944952e-04 289.75 -2.00 20.00 -2.00 500.89 0.00e+00 7.492226e-01 1.915607e-02 1.535173e-01 -6.000000e+00 2.053473e-01 232.86 -2.00 3.50 -2.00 502.41 0.00e+00 14.687 0.058 489.00 513.00 1 3.9832e+00 1.4794e-03 2.6986e-02 -6.0000e+00 1.5885e-02 -4.9193e-02 3.5480e-04 3.8373e-03 -6.0000e+00 3.9763e-03 3.8119e-03 2.9342e-03 1.0348e-04 1.5488e-04 -6.0000e+00 1.3194e-03 -1.5168e-02 2.0027e-04 12 9 9 12 1 1 39.47 22.93 8.71 -0.01517 0.00518 12 8 1 4 0 1297.080 26.00 19.98 22.93 29.05 28.2 1047.63 -1638 -1326 -461 579 1179 1728 2175 2103 1978 1458 856 285 -135 -633 -676 -630 -470 149 371 560 585 572 676 635 882 523 153 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-1301 -887 -637 -842 -846 -710 -191 40 577 814 1135 941 526 23 -433 -1054 -1384 -2077 -1739 -1312 -600 -174 -109 -215 -525 -733 -345 49 352 697 1289 1695 1767 1929 2109 1457 1136 580 428 444 811 1033 1136 1102 988 647 252 469 -290 -643 -785 -693 -852 -84 173 323 541 650 941 721 759 663 360 73 -808 -1205 -1197 -1198 SQ 20230715T100449.2Z 8596.420014 122 1 49.75 2 86.66 64.32 63.30 76.07 0.00 1 0.00 1 0 29 6.865e-03 6.791e-03 2.491e-04 2.485e-04 2.355271e+04 2.088995e+01 1.473783e+03 -6.000000e+00 4.234685e+02 289.75 -2.00 20.00 -2.00 505.41 0.00e+00 4.155673e-03 7.295218e-06 2.486623e-04 -6.000000e+00 2.023218e-04 289.75 -2.00 20.00 -2.00 500.78 0.00e+00 8.864373e-01 5.049017e-03 1.425153e-01 -6.000000e+00 1.411414e-01 232.86 -2.00 3.50 -2.00 502.32 0.00e+00 12.721 0.038 489.00 513.00 1 2.6752e+00 3.8971e-04 2.3265e-02 -6.0000e+00 1.0917e-02 -4.5577e-02 9.3727e-05 3.6140e-03 -6.0000e+00 2.7350e-03 1.8684e-02 2.8915e-03 2.7085e-05 1.3437e-04 -6.0000e+00 9.0638e-04 1.2655e-02 -1.6237e-05 12 8 8 10 0 0 61.35 22.93 5.68 0.01265 0.03271 173 35 1 4 0 287.480 26.00 20.01 22.93 29.34 28.0 1048.35 -1057 -752 -119 518 831 1149 1506 1551 1321 987 635 259 -99 -388 -389 -316 -316 -39 319 268 277 345 417 415 523 261 -75 -186 -551 -1107 -1177 -929 -784 -240 224 126 27 81 53 -77 40 164 340 413 605 556 406 59 -287 -659 -1068 -1265 -1320 -1098 -590 -81 186 497 630 710 846 938 888 721 639 323 -25 -324 -369 -672 -846 -756 -743 -648 -350 -519 -837 -992 -1054 -1013 -963 -811 -847 -825 -611 -534 -586 -569 -345 -152 58 364 754 904 700 440 136 -328 -678 -1170 -1549 -1413 -1108 -511 -110 -185 -256 -297 -471 -286 68 277 379 797 1070 1204 1262 1343 1084 565 411 279 246 472 780 704 698 699 289 275 330 -246 -557 -491 -658 -560 -39 120 92 402 589 492 531 488 474 336 112 -309 -709 -741 -706 -991 -691 -112 497 794 1120 1488 1543 1318 980 626 253 -96 -374 -374 -306 -310 -38 314 268 279 349 423 423 521 261 -75 -190 -553 -1097 -1156 -913 -784 -238 225 128 28 82 53 -78 40 168 351 421 621 574 419 60 -291 -657 -1076 -1257 -1305 -1093 -596 -81 189 513 654 740 883 957 910 739 652 327 -26 -331 -373 -675 -847 -757 -748 -657 -355 -525 -840 -985 -1034 -987 -935 -790 -830 -816 -609 -535 -573 -570 -343 -151 58 361 744 881 668 407 125 -294 -597 -1054 -1370 -1276 -1036 -483 -108 -181 -255 -297 -473 -281 67 276 379 799 1076 1220 1294 1358 1104 576 424 284 248 473 781 709 706 709 295 280 334 -248 -560 -493 -649 -559 -40 124 94 416 617 522 567 510 506 357 118 -324 -741 -775 -744 SQ 20230715T101501.0Z 8596.427095 125 1 49.69 2 84.91 65.92 61.46 77.42 0.00 1 0.00 1 0 22 4.422e-03 4.390e-03 1.843e-04 1.839e-04 1.926840e+04 1.507409e+01 1.213315e+03 -6.000000e+00 2.728100e+02 289.75 -2.00 20.00 -2.00 505.37 0.00e+00 2.998209e-03 5.392165e-06 1.850639e-04 -6.000000e+00 1.303325e-04 289.75 -2.00 20.00 -2.00 500.63 0.00e+00 8.023441e-01 3.767813e-03 1.185313e-01 -6.000000e+00 9.090481e-02 232.86 -2.00 3.50 -2.00 502.20 0.00e+00 9.657 0.016 489.00 513.00 1 2.5396e+00 2.9100e-04 1.7783e-02 -6.0000e+00 7.0314e-03 -3.3667e-02 7.0408e-05 2.9583e-03 -6.0000e+00 1.7610e-03 3.4096e-02 1.8978e-03 2.0800e-05 1.0522e-04 -6.0000e+00 5.8391e-04 8.6770e-03 2.7437e-05 11 8 0 10 0 0 86.72 22.94 3.47 0.00868 0.02184 358 73 1 4 0 138.740 26.00 20.00 22.94 29.72 27.7 1049.22 -654 -504 -75 255 458 630 979 979 894 625 415 331 -38 -212 -163 -144 -213 -21 244 98 53 233 257 252 338 73 -192 -140 -409 -859 -706 -524 -519 -104 248 90 -11 191 143 50 103 158 262 283 408 316 167 -122 -295 -494 -793 -845 -866 -728 -393 -52 92 241 357 450 561 648 620 469 441 169 -30 -201 -202 -401 -578 -430 -453 -433 -198 -297 -599 -604 -572 -606 -589 -550 -513 -616 -400 -366 -393 -343 -236 -49 40 209 464 593 333 280 89 -169 -336 -649 -938 -972 -785 -426 -119 -209 -221 -184 -289 -98 134 135 152 467 690 675 767 929 706 325 321 235 146 397 647 479 468 432 143 237 316 -148 -346 -158 -404 -396 -25 -3 -42 182 358 276 354 294 260 201 137 -187 -429 -468 -460 -624 -486 -71 250 448 629 991 999 912 635 417 329 -37 -208 -159 -142 -213 -21 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