File name: Pandora75s1_EssexMD_20240821_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080355.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240821_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20240821 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20240821T141551.1Z 8999.594342 5 1 10.29 2 47.07 113.60 110.31 282.13 0.00 1 0.00 1 0 17 1.089e-02 8.035e-03 9.539e-04 5.928e-04 2.135024e-01 3.174357e-04 2.519648e-03 -6.000000e+00 6.594397e-03 231.18 -2.00 3.48 -2.00 315.42 0.00e+00 6.883442e-04 3.064305e-05 1.106091e-04 -6.000000e+00 2.987581e-04 290.71 -2.00 20.00 -2.00 314.65 0.00e+00 1.466 0.000 302.00 328.00 3 2.1146e+00 8.2123e-04 1.8346e-02 -6.0000e+00 1.6452e-02 4.4669e-03 9.1337e-04 1.0877e-02 -6.0000e+00 1.7785e-02 2.0811e-03 5.2021e-04 5.2561e-03 -6.0000e+00 1.0628e-02 -7.0347e-03 2.2647e-04 1.4450e-03 -6.0000e+00 4.4232e-03 1.1553e-02 7.9423e-05 1.8641e-05 2.0667e-05 -6.0000e+00 3.3743e-04 8.7212e-03 3.0958e-05 12 9 1 12 1 1 88.23 23.39 0.48 0.00872 0.00932 86 71 1 5 0 118.280 26.11 20.01 23.39 28.87 5.0 1016.53 335 102 -659 -2454 -3268 -2688 -1193 -471 -622 -2080 -2829 -2289 -1163 -293 415 293 302 1028 1536 1445 1472 1388 1681 1339 1202 1154 229 -397 -241 52 398 996 557 -1446 -3201 -3206 -2664 -1517 -174 -320 -628 -194 -159 -118 36 252 19 -345 -539 95 369 910 1075 982 935 912 706 353 197 548 1134 1734 2012 1430 577 -332 -635 -481 443 1226 797 763 637 415 8 -808 -1518 -1837 -1877 -1671 -1750 -1972 -1851 -1616 -867 -437 202 711 555 444 303 -110 -618 -316 -137 77 463 509 161 -273 -962 -1426 -911 -554 -921 -939 -427 -231 497 902 928 661 396 36 -127 -149 70 398 549 486 432 461 614 700 648 265 201 312 324 197 -178 -355 -289 46 65 123 374 260 73 42 -497 -963 -1008 93 28 -189 -683 -904 -701 -315 -135 -181 -645 -890 -731 -399 -104 164 118 127 445 683 662 686 648 795 661 581 574 114 -190 -115 24 190 502 280 -756 -1642 -1624 -1441 -877 -111 -222 -456 -147 -124 -93 28 196 15 -257 -393 69 277 718 850 813 798 757 594 297 164 477 966 1563 1854 1387 558 -303 -567 -418 401 1165 791 792 663 418 8 -761 -1311 -1590 -1679 -1570 -1750 -2074 -1993 -1761 -1001 -517 241 869 678 542 343 -124 -645 -332 -144 85 540 623 207 -346 -1161 -1675 -1066 -642 -1145 -1192 -546 -309 668 1272 1313 939 559 49 -166 -185 86 511 725 657 598 634 850 926 843 329 249 391 411 255 -242 -496 -398 66 94 182 567 404 113 63 -737 -1438 -1492 SS 20240821T142048.2Z 8999.597781 8 1 4.68 2 46.19 114.76 111.19 282.98 0.00 1 0.00 1 0 17 1.047e-02 7.758e-03 1.432e-03 8.972e-04 2.102393e-01 4.812252e-04 2.466819e-03 -6.000000e+00 6.344146e-03 231.18 -2.00 3.48 -2.00 315.38 0.00e+00 5.818289e-04 4.593622e-05 9.111293e-05 -6.000000e+00 2.873414e-04 290.71 -2.00 20.00 -2.00 314.62 0.00e+00 1.442 0.000 302.00 328.00 3 2.1620e+00 1.2457e-03 1.8043e-02 -6.0000e+00 1.5828e-02 7.1501e-03 1.3843e-03 1.0683e-02 -6.0000e+00 1.7109e-02 1.6962e-03 7.8862e-04 5.1641e-03 -6.0000e+00 1.0224e-02 -6.9526e-03 3.4246e-04 1.4175e-03 -6.0000e+00 4.2566e-03 1.1334e-02 2.4776e-04 2.8357e-05 2.0447e-05 -6.0000e+00 3.2450e-04 7.0393e-03 6.2406e-05 12 9 1 12 1 1 99.68 23.47 0.45 0.00704 0.00890 40 74 1 5 0 113.970 26.21 20.01 23.47 29.26 5.0 1019.37 -100 368 -1110 -1799 -3163 -2732 -1236 -835 -520 -2061 -2350 -2296 -752 -424 468 -74 290 671 1481 1483 1516 1509 1609 1706 1369 902 140 -490 -583 155 790 985 454 -1791 -2847 -3114 -2199 -1306 -123 -403 -589 -300 -174 -115 167 426 -159 -358 -651 164 610 754 987 1072 947 905 731 179 268 480 1045 1560 1881 1318 570 -316 -653 -442 391 1134 647 794 556 529 -84 -896 -1420 -1778 -1568 -1707 -1714 -1958 -2017 -1743 -824 -397 211 562 472 487 324 31 -562 -209 -209 170 459 586 224 -196 -903 -1380 -910 -530 -726 -839 -593 -301 524 864 712 525 352 165 -139 7 -13 317 415 311 421 642 586 544 768 293 278 456 301 92 -210 -290 -228 -49 120 165 368 291 88 -43 -527 -808 -1112 -28 104 -325 -505 -888 -722 -331 -243 -153 -648 -746 -742 -259 -152 186 -32 123 293 662 682 709 706 764 841 662 451 70 -251 -280 72 375 495 228 -937 -1451 -1569 -1177 -749 -78 -278 -424 -226 -134 -90 130 328 -121 -264 -495 123 451 589 810 876 798 777 636 156 231 413 921 1390 1789 1262 544 -297 -574 -396 348 1059 632 810 570 524 -81 -832 -1263 -1511 -1372 -1572 -1678 -2016 -2130 -1938 -932 -460 256 698 586 582 374 35 -597 -215 -223 190 541 725 280 -243 -1103 -1643 -1040 -622 -879 -1077 -767 -392 710 1188 1017 752 485 219 -177 8 -16 410 552 424 587 888 789 727 1008 368 349 576 386 120 -287 -393 -316 -71 175 244 559 451 137 -66 -784 -1210 -1653 SS 20240821T142508.3Z 8999.600791 11 1 2.49 2 45.44 115.79 111.96 283.73 0.00 1 0.00 1 0 17 1.018e-02 7.838e-03 1.953e-03 1.234e-03 2.078301e-01 6.610270e-04 2.447309e-03 -6.000000e+00 6.167050e-03 231.18 -2.00 3.48 -2.00 315.33 0.00e+00 6.320302e-04 6.253282e-05 9.342508e-05 -6.000000e+00 2.792918e-04 290.71 -2.00 20.00 -2.00 314.57 0.00e+00 1.423 0.000 302.00 328.00 3 2.1647e+00 1.7085e-03 1.7824e-02 -6.0000e+00 1.5386e-02 8.8092e-03 1.8993e-03 1.0581e-02 -6.0000e+00 1.6630e-02 1.4998e-03 1.0830e-03 5.1135e-03 -6.0000e+00 9.9379e-03 -6.6453e-03 4.7030e-04 1.4069e-03 -6.0000e+00 4.1383e-03 1.1559e-02 1.9650e-04 3.8888e-05 2.0584e-05 -6.0000e+00 3.1539e-04 6.4495e-03 7.7787e-05 12 9 1 12 1 1 99.62 23.53 0.48 0.00645 0.00793 22 78 1 5 0 107.900 26.32 19.99 23.53 29.60 4.9 1021.05 634 285 -532 -1930 -2890 -2046 -837 164 295 -1353 -2080 -2391 -1313 -805 124 122 687 243 1293 1675 811 1403 1258 1726 597 1203 -293 -596 -120 296 294 951 585 -1340 -2577 -3400 -2760 -1630 -87 -415 -298 -292 -406 -220 267 100 -137 -595 -456 363 230 704 887 1128 874 1208 830 213 344 555 1128 1590 1982 1433 649 -156 -652 21 462 1192 500 703 504 588 104 -757 -1496 -1647 -1686 -1565 -1881 -2028 -2040 -1806 -956 -496 244 510 619 543 233 -17 -482 -207 -79 -113 600 668 86 -373 -810 -1314 -773 -504 -690 -888 -587 -373 629 847 812 700 366 51 -166 -259 43 448 292 464 420 446 534 496 648 279 48 482 291 68 -115 -184 -218 119 5 299 425 161 10 88 -535 -914 -1013 180 82 -157 -552 -822 -545 -226 48 87 -427 -666 -781 -459 -292 50 54 292 107 583 773 384 662 603 855 312 603 -148 -307 -58 138 141 479 313 -699 -1312 -1833 -1485 -936 -55 -286 -225 -220 -315 -172 207 77 -104 -463 -345 273 179 548 726 917 734 1029 718 185 295 475 988 1407 1873 1363 616 -146 -596 19 426 1153 506 712 513 603 100 -697 -1323 -1456 -1463 -1425 -1825 -2068 -2221 -1988 -1071 -590 293 627 760 644 266 -18 -507 -220 -83 -124 698 816 110 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