File name: Pandora30s1_Juelich_20250822_L2Fit_fwvt1c7d20250318p1-8.txt File generation date: 20250822T234506.9Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c7p1-8 Local principal investigator: Kezia Lange Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 30 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora30_OF_v3d20241219.txt Instrument calibration file used: Pandora30s1_CF_v7d20250318.txt Level 1 file used: Pandora30s1_Juelich_20250822_L1_smca1c7d20250318p1-8.txt Full location name: Juelich JULEY Short location name: Juelich Country of location: Germany Location latitude [deg]: 50.9080 Location longitude [deg]: 6.4130 Location altitude [m]: 94 Local noon date: 20250822 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: OoB after repairs in LabLuftBlick First and last pixel inside fitting window: 1633 1781 Nominal wavelengths inside fitting window [nm]: 492.0840 492.2059 492.3278 492.4497 492.5716 492.6935 492.8153 492.9372 493.0590 493.1808 493.3026 493.4243 493.5461 493.6678 493.7896 493.9113 494.0329 494.1546 494.2763 494.3979 494.5195 494.6411 494.7627 494.8843 495.0058 495.1274 495.2489 495.3704 495.4919 495.6133 495.7348 495.8562 495.9776 496.0990 496.2204 496.3418 496.4631 496.5845 496.7058 496.8271 496.9484 497.0696 497.1909 497.3121 497.4333 497.5545 497.6757 497.7969 497.9180 498.0392 498.1603 498.2814 498.4024 498.5235 498.6446 498.7656 498.8866 499.0076 499.1286 499.2495 499.3705 499.4914 499.6123 499.7332 499.8541 499.9749 500.0958 500.2166 500.3374 500.4582 500.5790 500.6998 500.8205 500.9412 501.0619 501.1826 501.3033 501.4240 501.5446 501.6652 501.7858 501.9064 502.0270 502.1475 502.2681 502.3886 502.5091 502.6296 502.7501 502.8705 502.9909 503.1114 503.2318 503.3521 503.4725 503.5929 503.7132 503.8335 503.9538 504.0741 504.1944 504.3146 504.4348 504.5551 504.6753 504.7954 504.9156 505.0357 505.1559 505.2760 505.3961 505.5162 505.6362 505.7563 505.8763 505.9963 506.1163 506.2363 506.3562 506.4762 506.5961 506.7160 506.8359 506.9557 507.0756 507.1954 507.3153 507.4351 507.5548 507.6746 507.7944 507.9141 508.0338 508.1535 508.2732 508.3929 508.5125 508.6321 508.7518 508.8714 508.9909 509.1105 509.2300 509.3496 509.4691 509.5886 509.7080 509.8275 509.9469 --------------------------------------------------------------------------------------- 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 20250822T073253.7Z 9365.314510 179 1 47.59 2 62.92 105.65 52.58 110.20 0.00 1 0.00 1 0 22 4.133e-03 4.129e-03 8.559e-04 8.541e-04 1.986880e+03 5.840848e+01 1.289973e+02 -6.000000e+00 2.661375e+02 282.86 -2.00 20.00 -2.00 505.22 0.00e+00 6.400182e-04 2.515587e-05 4.058978e-05 -6.000000e+00 1.243518e-04 282.86 -2.00 20.00 -2.00 500.41 0.00e+00 -2.015346e-03 1.837333e-02 1.804253e-02 -6.000000e+00 8.927644e-02 231.64 -2.00 3.80 -2.00 502.00 0.00e+00 2.184 0.000 489.00 513.00 1 7.9299e+00 1.4238e-03 3.5648e-03 -6.0000e+00 6.9158e-03 1.4101e-02 3.5144e-04 4.1921e-04 -6.0000e+00 1.7141e-03 5.1320e-04 2.2918e-03 1.3523e-04 2.6640e-05 -6.0000e+00 6.7815e-04 6.4641e-02 1.1527e-04 11 8 0 10 0 0 99.87 21.35 0.44 0.06464 0.08054 23 5 1 4 0 2068.670 26.73 19.98 21.35 21.56 29.2 1007.55 944 450 124 -88 -327 -304 -302 -43 -37 506 317 132 321 704 526 278 -109 -443 -362 -285 37 140 40 -45 -472 -528 -269 230 660 1243 721 36 -589 -935 -766 -581 357 185 372 543 340 -9 -332 -167 -542 -399 -501 -270 0 259 591 453 481 0 -566 -606 -503 114 -1 270 -26 -226 -183 -152 -70 106 284 270 151 232 -10 -463 -531 -629 -505 -174 223 639 121 252 -99 -333 -192 -44 -407 21 -45 458 411 57 -284 -300 -622 -481 -420 4 141 547 600 475 -321 -635 -803 -1042 -354 168 485 494 224 413 145 -50 84 -100 -4 -150 -118 123 506 1096 -1 390 236 9 2 -222 -358 -176 -199 -58 520 634 515 320 78 161 -232 50 -151 -112 -153 -351 -550 -548 295 34 468 568 900000 932 454 129 -90 -343 -324 -324 -46 -39 528 327 135 326 709 534 286 -114 -472 -378 -299 38 147 42 -47 -497 -551 -276 239 673 1254 735 38 -605 -975 -802 -607 367 190 380 554 349 -9 -347 -175 -568 -414 -513 -270 0 257 578 444 475 0 -565 -613 -513 116 -1 276 -27 -231 -186 -153 -69 104 284 267 149 228 -10 -461 -531 -628 -501 -170 216 614 117 244 -97 -329 -185 -42 -398 21 -44 450 406 57 -286 -302 -625 -477 -410 4 137 521 572 457 -307 -618 -795 -1041 -352 166 477 487 223 401 143 -50 84 -101 -4 -151 -117 122 493 1053 -1 375 227 8 2 -214 -344 -168 -188 -56 494 600 489 307 74 153 -226 49 -149 -111 -152 -349 -545 -538 284 33 441 533 900000 SQ 20250822T073715.5Z 9365.317540 182 1 48.51 2 62.26 106.59 51.96 111.22 0.00 1 0.00 1 0 29 3.985e-03 3.974e-03 6.671e-04 6.658e-04 1.970632e+03 4.549003e+01 1.247998e+02 -6.000000e+00 2.566050e+02 282.86 -2.00 20.00 -2.00 505.22 0.00e+00 6.139625e-04 1.962372e-05 4.012330e-05 -6.000000e+00 1.199052e-04 282.86 -2.00 20.00 -2.00 500.41 0.00e+00 8.417164e-04 1.432855e-02 1.847858e-02 -6.000000e+00 8.610696e-02 231.64 -2.00 3.80 -2.00 502.00 0.00e+00 2.137 0.000 489.00 513.00 1 7.4585e+00 1.1101e-03 3.5162e-03 -6.0000e+00 6.6698e-03 1.1681e-02 2.7414e-04 4.2106e-04 -6.0000e+00 1.6539e-03 8.2794e-04 2.4588e-03 1.0560e-04 2.6636e-05 -6.0000e+00 6.5384e-04 6.4285e-02 8.9264e-05 11 8 0 10 0 0 99.82 21.35 0.37 0.06428 0.08134 50 12 1 4 0 970.160 26.73 20.00 21.35 21.66 29.1 1007.55 885 428 149 -60 -327 -104 -220 -87 -224 206 412 160 365 650 696 205 -114 -370 -373 -134 64 214 6 -196 -523 -566 -225 103 627 1093 739 61 -529 -745 -875 -371 193 262 404 444 248 87 -223 -163 -526 -552 -425 -253 -40 320 744 441 290 -11 -595 -631 -458 54 276 192 102 -213 -123 -145 -19 -84 96 325 83 182 24 -337 -672 -604 -403 -192 340 484 204 71 -96 -339 -153 -261 -251 85 137 330 172 -113 -298 -333 -690 -561 -225 -92 273 579 669 373 -300 -712 -947 -878 -586 285 587 615 439 236 121 54 108 -131 62 -67 -134 174 478 891 133 354 296 -138 -27 -79 -289 -185 -147 -132 430 728 464 422 107 -6 -263 -21 -82 -174 -109 -313 -431 -436 156 -3 417 493 900000 874 432 154 -61 -343 -110 -235 -93 -238 215 425 163 369 655 705 211 -120 -393 -388 -140 67 225 7 -206 -551 -591 -231 107 639 1104 752 63 -543 -775 -917 -387 199 269 413 453 255 90 -233 -171 -551 -573 -435 -254 -41 317 727 432 287 -11 -593 -638 -467 55 281 196 104 -218 -125 -146 -19 -82 97 322 82 179 24 -336 -652 -585 -400 -189 330 467 197 69 -94 -336 -147 -254 -245 83 134 324 170 -113 -301 -336 -695 -558 -219 -88 264 554 638 360 -287 -696 -941 -852 -586 281 577 606 437 230 119 54 108 -133 62 -67 -134 172 467 861 128 340 285 -133 -26 -76 -278 -177 -140 -128 411 690 442 405 101 -6 -256 -21 -81 -173 -105 -303 -429 -429 150 -3 395 465 900000 SQ 20250822T074504.4Z 9365.322968 188 1 47.24 2 61.08 108.31 50.87 113.07 0.00 1 0.00 1 0 22 4.365e-03 4.360e-03 9.660e-04 9.641e-04 2.013573e+03 6.619224e+01 1.263720e+02 -6.000000e+00 2.810912e+02 282.86 -2.00 20.00 -2.00 505.23 0.00e+00 6.040968e-04 2.842931e-05 3.837948e-05 -6.000000e+00 1.313400e-04 282.86 -2.00 20.00 -2.00 500.41 0.00e+00 2.128420e-02 2.074780e-02 1.866610e-02 -6.000000e+00 9.430046e-02 231.64 -2.00 3.80 -2.00 502.00 0.00e+00 2.058 0.000 489.00 513.00 1 8.1844e+00 1.6078e-03 3.4172e-03 -6.0000e+00 7.3049e-03 1.0637e-02 3.9655e-04 4.2425e-04 -6.0000e+00 1.8107e-03 4.0449e-04 2.6237e-03 1.5238e-04 2.4785e-05 -6.0000e+00 7.1625e-04 6.2813e-02 1.1922e-04 11 9 0 11 32 0 98.68 21.35 0.42 0.06281 0.08101 13 3 1 4 0 3633.380 26.73 20.00 21.35 21.95 29.2 1007.60 796 493 64 -120 -387 -220 -249 -508 -18 -247 289 198 395 749 523 351 -100 -403 -400 119 95 43 81 -96 -548 -414 -264 131 573 1241 835 89 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