File name: Pandora127s1_Mainz-MPIC_20250607_L2Fit_fwvt1c4d20250305p1-8.txt File generation date: 20250904T072358.4Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c4p1-8 Local principal investigator: Thomas Wagner Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 127 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora127_OF_v4d20210611.txt Instrument calibration file used: Pandora127s1_CF_v4d20250305.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250607_L1_smca1c4d20250305p1-8.txt Full location name: Max-Planck-Institute for Chemistry, Mainz Short location name: Mainz-MPIC Country of location: Germany Location latitude [deg]: 49.9910 Location longitude [deg]: 8.2280 Location altitude [m]: 125 Local noon date: 20250607 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: None First and last pixel inside fitting window: 1649 1799 Nominal wavelengths inside fitting window [nm]: 492.0762 492.1966 492.3169 492.4372 492.5575 492.6778 492.7980 492.9183 493.0385 493.1587 493.2789 493.3991 493.5192 493.6394 493.7595 493.8796 493.9997 494.1198 494.2398 494.3599 494.4799 494.5999 494.7199 494.8399 494.9598 495.0798 495.1997 495.3196 495.4395 495.5593 495.6792 495.7990 495.9188 496.0386 496.1584 496.2782 496.3979 496.5177 496.6374 496.7571 496.8768 496.9964 497.1161 497.2357 497.3553 497.4749 497.5945 497.7140 497.8336 497.9531 498.0726 498.1921 498.3116 498.4311 498.5505 498.6699 498.7893 498.9087 499.0281 499.1474 499.2668 499.3861 499.5054 499.6247 499.7439 499.8632 499.9824 500.1016 500.2208 500.3400 500.4592 500.5783 500.6975 500.8166 500.9357 501.0548 501.1738 501.2929 501.4119 501.5309 501.6499 501.7689 501.8878 502.0068 502.1257 502.2446 502.3635 502.4823 502.6012 502.7200 502.8389 502.9577 503.0764 503.1952 503.3140 503.4327 503.5514 503.6701 503.7888 503.9074 504.0261 504.1447 504.2633 504.3819 504.5005 504.6191 504.7376 504.8561 504.9746 505.0931 505.2116 505.3300 505.4485 505.5669 505.6853 505.8037 505.9221 506.0404 506.1587 506.2770 506.3953 506.5136 506.6319 506.7501 506.8684 506.9866 507.1048 507.2229 507.3411 507.4592 507.5774 507.6955 507.8136 507.9316 508.0497 508.1677 508.2857 508.4037 508.5217 508.6397 508.7576 508.8756 508.9935 509.1114 509.2293 509.3471 509.4650 509.5828 509.7006 509.8184 509.9362 --------------------------------------------------------------------------------------- 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: 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: Temperature at electronics board 1 [°C], 999=no temperature signal Column 99: Temperature at electronics board 2 [°C], 999=no temperature signal Column 100: Humidity in head sensor [%], -9=no humidity signal Column 101: Pressure in head sensor [hPa], -9=no pressure signal Columns 102-252: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 253-403: 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 20250607T064805.1Z 9289.283393 213 1 48.65 2 59.71 89.91 141.16 324.09 0.00 1 0.00 1 0 15 3.034e-03 2.994e-03 6.285e-04 6.262e-04 2.581542e+03 3.681340e+01 1.881659e+02 -6.000000e+00 1.641501e+02 279.77 -2.00 20.00 -2.00 505.21 0.00e+00 5.115157e-04 1.683875e-05 3.147174e-05 -6.000000e+00 8.364453e-05 279.77 -2.00 20.00 -2.00 500.36 0.00e+00 7.519346e-02 1.233684e-02 1.924388e-02 -6.000000e+00 6.002384e-02 232.71 -2.00 3.76 -2.00 501.95 0.00e+00 1.975 0.000 489.00 513.00 1 6.1114e+00 9.4167e-04 3.3106e-03 -6.0000e+00 4.5912e-03 -4.7877e-04 2.4599e-04 4.8169e-04 -6.0000e+00 1.1985e-03 3.2428e-03 4.5051e-04 5.8444e-05 2.6901e-05 -6.0000e+00 2.9079e-04 4.3431e-03 -3.3932e-05 10 0 0 10 0 0 99.98 25.58 1.81 0.00434 0.00747 321 75 1 2 0 151.550 20.00 162.77 24.74 25.58 25.47 0.0 975.93 -308 -232 -159 -110 159 472 530 325 335 360 239 23 -168 -160 -441 -300 -85 67 -63 -137 163 109 163 285 342 316 333 -41 -458 -223 -262 -400 20 355 -131 -34 184 142 -24 -45 91 -146 141 211 273 187 295 255 125 -166 -449 -498 -1518 -494 -284 -310 -226 -113 -30 235 287 440 361 362 296 201 145 67 -164 -424 -109 -201 -229 71 76 -373 -264 -238 -342 -327 -320 -396 -523 -181 -33 -297 -276 -109 -30 -88 50 331 408 186 385 349 105 -153 -291 -460 -568 -480 -333 -123 -283 -319 -221 -267 -165 120 -68 -73 66 194 310 527 567 404 391 256 227 156 325 339 64 120 281 289 351 400 105 -80 -21 -175 -382 -62 -119 -329 -92 -10 104 73 373 285 244 42 -98 -195 -283 -270 -299 -295 -227 -160 -115 170 514 552 341 350 372 258 25 -177 -166 -457 -312 -90 69 -66 -145 172 115 173 302 364 336 352 -43 -469 -221 -254 -391 19 365 -139 -36 194 148 -24 -46 94 -151 147 222 290 199 312 267 128 -167 -439 -474 -1442 -468 -276 -311 -232 -118 -32 242 295 454 375 376 306 205 145 66 -160 -411 -105 -193 -222 70 75 -370 -258 -227 -324 -308 -303 -378 -504 -175 -32 -294 -275 -108 -30 -88 50 335 418 193 395 353 104 -148 -275 -427 -523 -446 -317 -122 -289 -311 -227 -269 -164 119 -68 -70 65 192 308 525 568 407 393 254 222 150 309 322 61 115 269 277 335 381 100 -76 -19 -160 -347 -56 -110 -313 -89 -10 102 72 370 285 245 42 -97 -189 -267 -251 -279 SQ 20250607T074525.2Z 9289.323208 250 1 48.70 2 50.56 101.54 145.14 345.30 0.00 1 0.00 1 0 15 3.050e-03 3.018e-03 5.918e-04 5.899e-04 2.222311e+03 3.453758e+01 1.575219e+02 -6.000000e+00 1.649948e+02 279.78 -2.00 20.00 -2.00 505.25 0.00e+00 5.042859e-04 1.590323e-05 3.059791e-05 -6.000000e+00 8.407550e-05 279.78 -2.00 20.00 -2.00 500.40 0.00e+00 1.921477e-02 1.166721e-02 1.835005e-02 -6.000000e+00 6.033387e-02 232.71 -2.00 3.76 -2.00 501.99 0.00e+00 1.571 0.000 489.00 513.00 1 6.5056e+00 8.9295e-04 2.7873e-03 -6.0000e+00 4.6149e-03 1.5761e-03 2.3183e-04 4.3823e-04 -6.0000e+00 1.2047e-03 2.3252e-03 3.5941e-04 5.5268e-05 2.1376e-05 -6.0000e+00 2.9229e-04 3.8317e-03 -3.2837e-05 10 0 0 10 0 0 99.99 25.68 1.99 0.00383 0.00632 75 18 1 2 0 649.200 20.00 162.77 25.23 25.68 25.58 0.0 980.24 -540 -313 -121 -101 62 502 492 463 417 269 322 -111 -148 -201 -350 -378 -79 8 -150 -75 164 65 195 326 306 330 240 99 -381 -255 -244 -295 31 292 -132 -68 180 21 -86 -26 23 21 104 290 306 311 331 267 39 -177 -363 -536 -1495 -413 -329 -253 -266 -71 35 114 463 440 284 334 244 243 150 62 -201 -390 -195 -99 -229 38 -88 -126 -234 -214 -265 -226 -362 -458 -550 -181 -64 -359 -172 -225 -158 -55 21 391 349 114 411 314 86 -131 -247 -537 -641 -403 -209 -43 -289 -353 -148 -230 -171 -49 9 -21 69 285 342 496 645 532 377 320 133 162 219 462 79 84 329 299 220 293 103 -89 34 -230 -425 -182 -42 -312 -218 70 34 105 295 263 219 135 -104 -201 -245 -298 -344 -520 -306 -122 -100 63 519 518 491 441 281 330 -113 -148 -199 -345 -375 -79 9 -159 -80 175 70 208 349 329 354 256 104 -394 -255 -239 -291 31 303 -141 -73 192 23 -89 -27 23 21 109 308 328 333 353 281 40 -179 -357 -515 -1430 -394 -322 -255 -275 -74 36 119 479 458 297 349 254 249 152 61 -198 -381 -188 -96 -224 37 -88 -125 -230 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