File name: Pandora51s1_OldFieldNY_20250310_L2Fit_fout2c5d20211018p1-8.txt File generation date: 20250311T050917.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 51 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora51_OF_v5d20190801.txt Instrument calibration file used: Pandora51s1_CF_v5d20211018.txt Level 1 file used: Pandora51s1_OldFieldNY_20250310_L1_smca1c5d20211018p1-8.txt Full location name: Flax Pond NYSDEC (USEPA AQS ID 36-103-0044) Short location name: OldFieldNY Country of location: USA Location latitude [deg]: 40.9635 Location longitude [deg]: -73.1402 Location altitude [m]: 3 Local noon date: 20250310 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: Modification of session 3 - Full Lab Cal on 1.8 for HCHO First and last pixel inside fitting window: 257 399 Nominal wavelengths inside fitting window [nm]: 305.1342 305.2748 305.4155 305.5562 305.6968 305.8375 305.9781 306.1187 306.2593 306.3999 306.5405 306.6810 306.8216 306.9621 307.1027 307.2432 307.3837 307.5242 307.6647 307.8052 307.9457 308.0861 308.2266 308.3670 308.5074 308.6478 308.7882 308.9286 309.0690 309.2094 309.3497 309.4901 309.6304 309.7707 309.9110 310.0513 310.1916 310.3319 310.4722 310.6124 310.7527 310.8929 311.0331 311.1733 311.3135 311.4537 311.5939 311.7340 311.8742 312.0143 312.1545 312.2946 312.4347 312.5748 312.7149 312.8549 312.9950 313.1350 313.2751 313.4151 313.5551 313.6951 313.8351 313.9751 314.1151 314.2550 314.3950 314.5349 314.6748 314.8147 314.9546 315.0945 315.2344 315.3743 315.5141 315.6540 315.7938 315.9336 316.0734 316.2132 316.3530 316.4928 316.6326 316.7723 316.9120 317.0518 317.1915 317.3312 317.4709 317.6106 317.7503 317.8899 318.0296 318.1692 318.3088 318.4484 318.5880 318.7276 318.8672 319.0068 319.1463 319.2859 319.4254 319.5649 319.7044 319.8439 319.9834 320.1229 320.2624 320.4018 320.5413 320.6807 320.8201 320.9595 321.0989 321.2383 321.3777 321.5170 321.6564 321.7957 321.9351 322.0744 322.2137 322.3530 322.4922 322.6315 322.7708 322.9100 323.0492 323.1885 323.3277 323.4669 323.6061 323.7452 323.8844 324.0235 324.1627 324.3018 324.4409 324.5800 324.7191 324.8582 324.9973 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20250310T121647.7Z 9200.511664 227 1 48.89 2 78.78 105.30 111.19 329.35 0.00 1 0.00 1 0 25 4.237e-01 5.970e-03 2.152e-01 2.465e-03 7.425548e-01 1.403078e-03 8.265578e-03 -6.000000e+00 2.536163e-01 225.94 -2.00 3.51 -2.00 321.44 0.00e+00 5.475268e-03 6.943633e-04 1.503225e-03 -6.000000e+00 1.105277e-02 276.74 -2.00 20.00 -2.00 320.99 0.00e+00 4.962 0.002 302.00 328.00 3 1.2119e+00 4.8043e-03 6.4837e-02 -6.0000e+00 6.2802e-01 1.1830e-01 7.0302e-03 4.4574e-02 -6.0000e+00 6.8068e-01 -7.7872e-02 7.8346e-03 2.3220e-02 -6.0000e+00 4.0482e-01 1.7370e-02 3.6875e-03 1.0921e-02 -6.0000e+00 1.7235e-01 4.8439e-04 -1.1056e-03 7.4043e-05 1.2075e-04 -6.0000e+00 1.3100e-02 1.7100e-02 -1.6894e-04 10 0 0 10 0 0 37.29 22.11 0.30 0.01710 0.00879 245 56 1 5 0 199.510 26.83 20.00 22.11 10.70 22.0 945.10 -172666 -25755 -236243 -176201 -215050 -51709 -122197 -77667 28153 -127605 -76660 -85187 900000 -89719 27355 -39740 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-522 -782 -286 -676 258 -7 384 517 -137 344 -200 418 591 1002 601 -431 -439 -602 293 410 -12 -1287 -1295 -541 -718 -198 131 -346 -555 -546 392 674 1462 1024 747 -174 -686 -325 720 225 -128 444 270 1569 1021 56 -431 -984 -150 156 -105 -745 -602 155 465 -638 18 189 421 900000 SS 20250310T122232.3Z 9200.515652 230 1 49.01 2 77.73 106.30 111.73 330.60 0.00 1 0.00 1 0 25 2.911e-01 5.358e-03 2.046e-01 2.661e-03 6.850177e-01 1.498494e-03 7.741149e-03 -6.000000e+00 1.742245e-01 225.94 -2.00 3.51 -2.00 321.17 0.00e+00 3.944118e-03 6.918743e-04 1.223770e-03 -6.000000e+00 7.560641e-03 276.74 -2.00 20.00 -2.00 320.69 0.00e+00 4.571 0.002 302.00 328.00 3 1.8916e+00 4.9284e-03 5.9283e-02 -6.0000e+00 4.3149e-01 9.3510e-02 6.8369e-03 3.9655e-02 -6.0000e+00 4.6765e-01 -4.9423e-02 7.2913e-03 2.0537e-02 -6.0000e+00 2.7802e-01 4.6020e-03 3.4961e-03 8.6115e-03 -6.0000e+00 1.1830e-01 3.7973e-04 -1.0040e-03 8.1407e-05 9.7907e-05 -6.0000e+00 8.9735e-03 1.7053e-02 -1.5357e-04 10 0 0 10 0 0 97.78 22.12 0.20 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-235 7 300 82 455 15 212 394 497 473 97 15 -110 102 -3 527 536 553 815 11 281 155 817 594 876 306 373 208 -364 25 -340 -166 66 -165 -59 -375 -592 -1172 -1160 -1047 -857 -254 111 205 -158 535 332 82 304 281 264 657 880 539 -316 -566 -142 191 411 -53 -1149 -876 -801 -415 180 94 -234 -505 149 -152 559 1457 1215 456 -248 -967 -668 724 292 299 -190 64 978 1233 244 -149 -546 -783 159 -639 -439 -580 449 675 -265 -99 29 200 900000 SS 20250310T122732.8Z 9200.519130 233 1 48.83 2 76.83 107.18 112.18 331.69 0.00 1 0.00 1 0 17 2.121e-01 4.950e-03 1.467e-01 2.365e-03 6.467587e-01 1.312343e-03 7.301690e-03 -6.000000e+00 1.269669e-01 225.94 -2.00 3.51 -2.00 321.03 0.00e+00 3.083331e-03 5.754133e-04 7.688731e-04 -6.000000e+00 5.509206e-03 276.74 -2.00 20.00 -2.00 320.55 0.00e+00 4.278 0.001 302.00 328.00 3 1.9397e+00 4.2137e-03 5.5090e-02 -6.0000e+00 3.1445e-01 7.6845e-02 5.6918e-03 3.5849e-02 -6.0000e+00 3.4080e-01 -3.5855e-02 5.9698e-03 1.8898e-02 -6.0000e+00 2.0260e-01 6.7567e-04 2.9077e-03 7.5158e-03 -6.0000e+00 8.6220e-02 4.9972e-04 -8.4941e-04 7.2631e-05 8.7822e-05 -6.0000e+00 6.5388e-03 1.6634e-02 -1.4291e-04 10 0 0 10 0 0 99.18 22.13 0.27 0.01663 0.01025 207 47 1 5 0 235.870 26.83 20.00 22.13 11.32 22.0 949.42 -22399 -98352 -89287 -74680 -36571 -83777 -83102 5630 -60315 -33942 -78687 -45857 -54989 -39499 7630 -32326 -11343 -7058 -25400 -12605 1192 145 -19971 8983 2212 -10017 -19473 -8895 -7403 -22173 -2482 -7263 -3445 -11113 -5485 -1702 -4567 1323 -2806 1088 -3042 -1843 -24 -2823 963 -1473 -2287 -434 1481 3802 2612 2870 2715 660 1259 1124 -466 -554 -230 436 2359 1970 2814 611 688 1097 851 2057 1656 1326 142 209 -736 478 -757 -819 65 179 -209 -262 -1138 -1388 -1400 -1147 -882 -477 -215 231 396 464 752 253 408 541 633 436 981 248 -398 -583 -286 301 401 13 -982 -1338 -790 -240 -200 -47 -150 -242 -51 -86 465 819 949 415 -86 -402 -319 363 279 -20 43 125 999 886 -38 -290 -271 -180 101 77 -227 -388 9 92 -119 -61 39 276 900000 -67 -639 -597 -413 -135 -522 -575 18 -417 -196 -726 -412 -634 -497 81 -542 -174 -114 -527 -240 20 3 -469 171 48 -256 -547 -224 -194 -776 -85 -306 -155 -548 -254 -81 -237 78 -209 90 -288 -184 -2 -303 102 -164 -265 -52 185 509 396 480 497 132 264 244 -104 -122 -49 95 540 508 808 194 221 347 275 703 590 530 61 91 -313 186 -294 -293 23 67 -89 -122 -612 -836 -908 -790 -646 -367 -171 185 309 343 518 166 268 381 505 402 1030 290 -486 -691 -312 297 380 13 -1033 -1492 -934 -306 -280 -73 -251 -386 -86 -138 709 1220 1444 666 -145 -688 -535 583 432 -31 61 173 1377 1320 -64 -541 -507 -357 211 171 -532 -946 23 228 -289 -142 86 575 900000 SS 20250310T123258.6Z 9200.522901 236 1 48.88 2 75.85 108.15 112.65 332.89 0.00 1 0.00 1 0 25 1.669e-01 4.925e-03 4.500e-02 1.208e-03 6.072058e-01 6.597309e-04 6.912206e-03 -6.000000e+00 9.987959e-02 225.94 -2.00 3.51 -2.00 320.69 0.00e+00 3.145075e-03 2.634928e-04 8.622446e-04 -6.000000e+00 4.333441e-03 276.74 -2.00 20.00 -2.00 320.18 0.00e+00 4.001 0.001 302.00 328.00 3 1.2494e+00 2.0104e-03 5.1469e-02 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