File name: Pandora64s1_NewHavenCT_20250202_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250203T171229.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250202_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20250202 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20250202T123555.1Z 9164.524943 56 1 48.16 2 84.95 117.42 108.42 68.88 0.00 1 0.00 1 0 40 6.549e-01 1.344e-01 1.980e-01 4.232e-02 9.625814e-01 2.488570e-02 1.401876e-02 -6.000000e+00 3.908458e-01 224.38 -2.00 3.52 -2.00 319.06 0.00e+00 5.510515e-02 3.943117e-03 2.697733e-03 -6.000000e+00 1.691270e-02 274.94 -2.00 20.00 -2.00 318.71 0.00e+00 9.768 0.017 302.00 328.00 3 9.4773e-02 6.7321e-02 1.2601e-01 -6.0000e+00 9.6577e-01 3.1207e+00 7.7029e-02 1.2282e-01 -6.0000e+00 1.0481e+00 -2.6454e+00 4.0964e-02 2.3218e-02 -6.0000e+00 6.2304e-01 8.2350e-01 1.9980e-02 4.1632e-02 -6.0000e+00 2.6481e-01 5.0831e-06 -4.9807e-03 9.7540e-04 6.2775e-04 -6.0000e+00 1.9453e-02 -1.3924e-03 6.0997e-05 12 9 8 11 8 0 81.08 21.25 0.39 -0.00139 -0.03882 14 3 1 5 0 3439.150 25.79 20.00 21.25 -3.02 35.9 902.61 181152 274661 204045 193047 -39728 86382 63091 113015 146410 41382 -43069 97027 24734 56837 138732 142630 125604 173566 126270 129831 115346 162093 96826 52154 4062 11164 -60131 -34835 -29517 -94058 19562 72040 52535 57867 24440 183282 -979 42821 26875 18865 49682 32309 -847 35838 28432 26916 32168 20404 7342 -49026 52930 62785 161966 25561 39676 -15075 69493 -43438 40982 -15264 -9014 -3261 45980 -41724 100271 -59 14153 70469 30277 22840 24605 24060 21865 -19655 -25576 -38960 79305 4031 -22536 15623 -3400 -16774 -2123 -1094 22055 -15410 28129 -7594 8535 14804 -1281 22011 -26029 -9746 12962 19160 -573 12484 9814 -955 -5873 -753 -29271 5950 -1347 -7375 -7529 44566 3197 8515 10009 -1599 -1280 7532 197 -8629 -37 481 -3122 4549 -443 11661 3577 11748 7207 1826 -10952 7148 -3105 533 -4318 -5671 -5064 1160 151 -981 251 207 4722 2064 -1722 311 39870 26669 36488 31423 -43937 21586 13741 11248 8308 5023 -10269 7758 5387 13161 19869 23544 26526 23594 26360 23637 20440 15050 12692 7976 769 1653 -16640 -7526 -6807 -49165 4654 12066 11733 11800 5873 9076 -257 7510 5154 3892 7816 6000 -214 6840 6013 6040 7135 5052 2139 -25944 11331 12631 12922 6949 9210 -5160 9858 -16238 6553 -4291 -2534 -976 9606 -22181 14224 -21 4363 13268 9059 7485 8504 8067 6824 -7682 -9188 -14186 9818 1081 -8917 5440 -1551 -9773 -1129 -587 9690 -10063 12086 -4646 4330 6648 -622 8516 -15227 -5299 6639 11116 -480 10636 9243 -980 -5817 -618 -28422 4015 -1027 -6176 -6781 26180 3236 9426 12293 -2217 -1793 9497 260 -12246 -49 677 -4753 6434 -629 14606 4671 13660 8537 2256 -15419 9422 -5083 973 -9315 -13495 -12875 2968 416 -2832 721 600 12860 5429 -4373 722 SS 20250202T140052.5Z 9164.583941 93 1 14.93 2 71.94 133.41 93.25 82.88 0.00 1 0.00 1 0 33 1.461e-01 1.358e-02 5.116e-02 4.596e-03 4.563854e-01 2.435922e-03 5.453969e-03 -6.000000e+00 8.715937e-02 224.39 -2.00 3.52 -2.00 319.15 0.00e+00 1.859248e-03 6.001170e-04 6.081678e-04 -6.000000e+00 3.771724e-03 274.94 -2.00 20.00 -2.00 318.61 0.00e+00 3.183 0.001 302.00 328.00 3 4.1312e+00 6.6865e-03 3.9423e-02 -6.0000e+00 2.1537e-01 5.7151e-02 7.7194e-03 2.3463e-02 -6.0000e+00 2.3374e-01 -5.0994e-02 5.8420e-03 1.2060e-02 -6.0000e+00 1.3895e-01 1.7061e-02 3.0698e-03 3.9256e-03 -6.0000e+00 5.9048e-02 2.0237e-04 -4.8214e-04 1.4083e-04 4.7147e-05 -6.0000e+00 4.3389e-03 -2.4254e-03 -2.9310e-05 12 9 9 12 1 1 95.00 21.26 0.06 -0.00243 -0.00605 6 6 1 5 0 2131.130 25.68 20.00 21.26 -2.18 36.2 906.47 -24435 34226 -21256 30727 -126003 -27771 -50662 -20428 -20841 -17446 -40871 28775 -18522 6052 -10157 6611 -5881 15718 -10009 18898 -3613 17595 3942 10060 -10138 13312 -13033 8799 -8482 -6880 -6667 5868 1411 5359 -6445 795 -3753 353 419 399 209 -57 3117 -524 242 453 2093 1452 4349 -1056 5616 2008 3720 1258 3760 -620 3605 -711 1885 -483 818 2108 3254 2294 3047 -2786 1442 -2089 1579 1191 892 124 224 -211 103 -2961 1206 -4024 -1625 -1296 -1291 -1888 -1849 -2556 -1235 -1431 410 -246 1719 306 285 727 -714 -930 253 51 -782 1922 393 -342 -653 -1379 -2639 27 -888 -1338 -554 4 -91 826 1011 673 -120 366 -115 -3 109 -178 728 639 20 100 667 388 548 1521 -1210 1441 1013 374 310 -680 -360 -254 634 -165 -777 221 -56 -525 -288 -437 -697 622 -657 551 -9119 -857 -2031 -679 -767 -654 -2005 852 -1009 310 -723 447 -460 1127 -924 1440 -330 1378 357 915 -1186 1277 -1609 836 -954 -820 -902 776 217 796 -1028 125 -697 71 101 110 63 -17 944 -166 77 145 661 470 1397 -379 2067 829 1615 571 1714 -305 1721 -349 888 -236 416 1162 1862 1420 1847 -1704 841 -1296 1055 858 683 98 171 -153 71 -1911 745 -2563 -1134 -992 -1071 -1749 -1749 -2581 -1275 -1562 457 -279 1889 323 290 690 -662 -903 269 59 -952 2512 520 -453 -811 -1641 -3074 32 -1110 -1748 -739 5 -134 1268 1641 1101 -192 565 -167 -4 159 -271 1130 1019 32 153 1024 569 799 2114 -1691 2091 1568 610 522 -1198 -640 -462 1217 -321 -1543 440 -110 -1022 -537 -807 SS 20250202T141429.3Z 9164.593395 102 1 48.05 2 70.12 136.28 90.75 85.01 0.00 1 0.00 1 0 25 5.367e-02 7.323e-03 1.093e-02 1.305e-03 4.239673e-01 6.880246e-04 5.058599e-03 -6.000000e+00 3.202335e-02 224.39 -2.00 3.52 -2.00 318.75 0.00e+00 1.061364e-03 1.509162e-04 2.444388e-04 -6.000000e+00 1.385743e-03 274.94 -2.00 20.00 -2.00 318.20 0.00e+00 2.910 0.000 302.00 328.00 3 3.3242e+00 1.8590e-03 3.6202e-02 -6.0000e+00 7.9129e-02 2.4682e-02 2.1235e-03 2.1697e-02 -6.0000e+00 8.5876e-02 -8.2507e-03 1.5323e-03 1.0947e-02 -6.0000e+00 5.1050e-02 -4.0452e-03 8.0780e-04 3.3505e-03 -6.0000e+00 2.1696e-02 6.1827e-04 -4.7259e-04 4.0069e-05 3.9580e-05 -6.0000e+00 1.5941e-03 -2.7578e-03 -2.8391e-05 11 8 0 10 0 0 99.52 21.26 0.11 -0.00276 -0.00631 74 18 1 5 0 649.240 25.79 19.99 21.26 -1.92 36.1 907.68 -10702 -6859 -9685 -8507 -54995 -10195 -10278 -2867 -2807 -2731 -9039 -3596 -4723 -2127 3043 200 -1295 2727 4 864 1371 -294 2833 880 -1681 -711 -839 -2927 -1249 -4419 2081 -1157 1742 -234 -5253 -2599 -1814 -1426 549 111 -1087 -873 38 -1519 140 -76 194 338 -274 -747 1897 1134 1497 1351 379 882 1019 256 689 594 384 1071 1668 2232 1215 -1151 144 -949 1080 1631 284 294 -203 398 -128 -948 -259 -1694 -807 -433 -1245 -904 -1766 -1893 -526 -576 216 65 780 717 286 497 -682 147 862 493 -246 1018 598 -284 -582 -1399 -1868 158 281 -1232 -519 -524 -270 330 702 254 222 265 -230 -51 446 -165 472 184 -112 -416 616 196 928 870 -918 552 1081 178 399 -589 -717 -364 456 -179 -445 321 306 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