File name: Pandora187s1_PittsburghPA_20230918_L2Fit_fwvt1c5d20230706p1-8.txt File generation date: 20241126T181659.2Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20230918_L1_smca1c5d20230706p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20230918 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 1607 1755 Nominal wavelengths inside fitting window [nm]: 492.0774 492.1992 492.3211 492.4429 492.5647 492.6865 492.8082 492.9300 493.0517 493.1735 493.2952 493.4168 493.5385 493.6602 493.7818 493.9034 494.0250 494.1466 494.2682 494.3897 494.5113 494.6328 494.7543 494.8758 494.9972 495.1187 495.2401 495.3615 495.4829 495.6043 495.7257 495.8470 495.9684 496.0897 496.2110 496.3323 496.4535 496.5748 496.6960 496.8172 496.9384 497.0596 497.1807 497.3019 497.4230 497.5441 497.6652 497.7863 497.9074 498.0284 498.1494 498.2704 498.3914 498.5124 498.6334 498.7543 498.8752 498.9961 499.1170 499.2379 499.3588 499.4796 499.6004 499.7212 499.8420 499.9628 500.0835 500.2043 500.3250 500.4457 500.5664 500.6870 500.8077 500.9283 501.0489 501.1695 501.2901 501.4107 501.5312 501.6518 501.7723 501.8928 502.0133 502.1337 502.2542 502.3746 502.4950 502.6154 502.7358 502.8561 502.9765 503.0968 503.2171 503.3374 503.4577 503.5779 503.6982 503.8184 503.9386 504.0588 504.1790 504.2991 504.4193 504.5394 504.6595 504.7796 504.8996 505.0197 505.1397 505.2597 505.3797 505.4997 505.6197 505.7396 505.8595 505.9795 506.0994 506.2192 506.3391 506.4589 506.5788 506.6986 506.8184 506.9381 507.0579 507.1776 507.2974 507.4171 507.5367 507.6564 507.7761 507.8957 508.0153 508.1349 508.2545 508.3741 508.4936 508.6132 508.7327 508.8522 508.9716 509.0911 509.2105 509.3300 509.4494 509.5688 509.6882 509.8075 509.9269 --------------------------------------------------------------------------------------- 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 101-249: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 250-398: 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 20230918T115831.8Z 8661.498980 61 1 25.88 2 80.36 95.84 117.89 84.69 0.00 1 0.00 1 0 22 2.676e-03 2.674e-03 2.471e-04 2.469e-04 7.383091e+03 1.907095e+01 4.739185e+02 -6.000000e+00 1.775066e+02 286.50 -2.00 20.00 -2.00 505.31 0.00e+00 1.283459e-03 7.456426e-06 7.871080e-05 -6.000000e+00 8.194358e-05 286.50 -2.00 20.00 -2.00 500.65 0.00e+00 5.039142e-01 5.252776e-03 5.726823e-02 -6.000000e+00 5.787262e-02 228.79 -2.00 3.49 -2.00 502.21 0.00e+00 5.693 0.003 489.00 513.00 1 3.1262e+00 4.0770e-04 9.4456e-03 -6.0000e+00 4.4990e-03 -2.8364e-02 9.7861e-05 1.3672e-03 -6.0000e+00 1.1007e-03 3.6583e-02 9.6470e-04 3.8603e-05 4.5324e-05 -6.0000e+00 4.5035e-04 3.9642e-03 -3.5057e-05 12 1 1 12 1 1 99.94 17.53 1.55 0.00396 0.01066 353 193 1 4 0 73.070 20.96 15.00 17.53 22.00 27.5 940.20 -469 -199 10 -10 36 185 385 427 309 207 137 38 -113 -201 -196 -146 -11 62 126 71 56 179 345 398 390 282 203 21 -228 -327 -338 -148 102 239 76 -162 -245 -195 -115 8 98 134 208 288 255 176 89 -9 -187 -375 -556 -557 -463 -281 -131 -102 -78 -44 39 207 417 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-158 -330 -358 -260 SQ 20230918T120133.4Z 8661.501081 63 1 45.62 2 79.79 96.34 117.35 85.20 0.00 1 0.00 1 0 22 2.706e-03 2.694e-03 6.695e-04 6.687e-04 7.231707e+03 5.204181e+01 4.651819e+02 -6.000000e+00 1.795350e+02 286.50 -2.00 20.00 -2.00 505.30 0.00e+00 1.213266e-03 2.026734e-05 7.519520e-05 -6.000000e+00 8.288289e-05 286.50 -2.00 20.00 -2.00 500.57 0.00e+00 5.042548e-01 1.431608e-02 5.525598e-02 -6.000000e+00 5.854302e-02 228.79 -2.00 3.49 -2.00 502.15 0.00e+00 5.404 0.003 489.00 513.00 1 5.6566e+00 1.1117e-03 9.0059e-03 -6.0000e+00 4.5509e-03 -1.5130e-02 2.6725e-04 1.3175e-03 -6.0000e+00 1.1137e-03 3.0345e-03 1.2820e-03 1.0464e-04 4.2957e-05 -6.0000e+00 4.5549e-04 6.5944e-03 -6.7444e-05 10 0 0 10 0 0 99.98 17.53 1.26 0.00659 0.01549 73 22 1 4 0 624.870 20.96 15.00 17.53 22.16 27.5 940.89 -453 -124 68 23 78 153 399 427 292 143 152 109 -70 -192 -222 -314 18 112 178 12 46 170 330 387 436 234 247 65 -187 -329 -342 -166 175 202 25 -191 -281 -210 -85 -35 64 212 205 312 243 101 74 -77 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-193 -153 -32 11 41 -59 -91 84 85 128 81 133 -2 -134 -299 -384 -209 SQ 20230918T121030.1Z 8661.507293 69 1 4.41 2 78.10 97.84 115.73 86.69 0.00 1 0.00 1 0 22 3.476e-03 3.468e-03 3.908e-03 3.904e-03 6.157537e+03 2.984050e+02 4.059948e+02 -6.000000e+00 2.306249e+02 286.50 -2.00 20.00 -2.00 505.28 0.00e+00 9.996323e-04 1.176779e-04 6.594320e-05 -6.000000e+00 1.064678e-04 286.50 -2.00 20.00 -2.00 500.53 0.00e+00 4.265076e-01 8.376407e-02 4.636257e-02 -6.000000e+00 7.520002e-02 228.79 -2.00 3.49 -2.00 502.11 0.00e+00 4.699 0.002 489.00 513.00 1 6.3396e+00 6.4983e-03 7.7631e-03 -6.0000e+00 5.8458e-03 -4.2898e-03 1.5670e-03 1.1191e-03 -6.0000e+00 1.4305e-03 1.7080e-03 5.9279e-04 6.1706e-04 3.9786e-05 -6.0000e+00 5.8510e-04 3.9293e-03 -4.7642e-05 12 1 1 12 1 1 999.00 17.53 1.03 0.00393 0.00804 1 6 1 4 0 2203.040 20.96 14.99 17.53 22.22 27.5 941.81 -294 72 414 -174 124 -118 371 781 196 -19 21 211 -304 -445 -132 -281 332 189 343 -386 -321 381 529 246 514 -37 547 -43 -457 -373 -408 -345 218 320 389 -123 -82 -357 10 260 36 275 453 25 108 95 85 -407 344 -24 -822 -378 -269 231 -328 -224 -60 -430 -22 91 458 50 375 -239 -78 7 280 18 -151 -538 -593 -494 -53 25 -190 -349 -372 -273 96 183 -283 -441 217 -431 11 -442 -23 -242 21 -185 83 582 290 84 35 -99 -67 -284 3 -479 -1018 -607 -197 -249 -678 -70 -783 284 -303 74 607 38 151 327 412 621 534 370 299 141 335 727 605 549 -47 251 -296 78 212 317 294 374 103 150 203 174 -52 374 -699 -28 -77 296 -49 -21 -478 213 -322 -516 -297 -285 70 408 -171 125 -121 384 810 204 -20 21 213 -306 -446 -132 -283 336 195 347 -397 -332 393 548 256 532 -39 559 -43 -459 -369 -415 -342 217 324 399 -127 -85 -369 10 266 37 283 468 26 113 99 88 -417 345 -24 -828 -375 -267 230 -324 -225 -60 -441 -23 94 470 51 386 -246 -79 7 277 18 -148 -524 -577 -481 -52 24 -186 -338 -369 -269 94 178 -278 -436 209 -419 11 -435 -23 -239 21 -185 83 581 290 83 34 -95 -65 -272 3 -456 -984 -577 -191 -246 -679 -70 -767 284 -297 73 598 38 152 330 419 631 543 375 301 141 331 713 592 538 -47 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