xrdsv1% shadow 1*** SHADOW - Pattern analysis V 860818 21-Mar-96 10:39 Default PLOT file type is UNFORMATTED. Use $file.ext to write FORMATTED. Program options are given in (), defaults given in <>. Use a / to get the defaults or if the program hangs on a read. Execution mode: (I)nteractive or (B)atch setup ? i The standard Cu radiation wavelengths are default. Wavelength Relative intensity 1.54060 1.0000 1.54444 0.5000 1.53438 0.0100 A - Accept wavelengths S - Set new wavelengths R - Read instrument calibration file Choice ? a The name of the pattern file ? SIBAG2.XDA (F)ormatted or (U)nformatted file type ? f The run time parameters for this file are: SI BAG 2ND RUN Pattern recorded Date: 10-25-851 Time: 7:05:02 Starting angle : 20.0000 Ending angle : 122.3800 Angle increment: 0.0200 Step time : 2.0000 * Background determination Type of background for evaluation: -1 None 0 Refine fixed shape background offset 1-4 Polynomial Background model ? <0> 0 Records read 512 Points/record 4 Total number of points 2048 Background evaluation with predetermined shape Cycles = 16 Points used = 1264 Deleted = 784 Background offset = -0.3541 Sigma = 0.0343 SHADOW performs the following functions: S(S) - Search for peaks (and setup refinement regions) R - Refine peak parameters by profile fitting A(S) - Auto setup for refinement (with auto peak search) N - Open new pattern for analysis L - Line list functions P - Read/write parameter file E - Exit program Function ? s * Search criteria: Angular region for search ? 20 40 Angles for search: 20.0000 to 40.1800 2theta Perform standard search ? y Produce plotting from the search phase ? n Segment: 20.0000 to 40.1800 Points = 1010 Rwp after smoothing the raw data = 0.1104 Subtracting background from segment ***** P E A K S E A R C H R E S U L T S ***** Std devation threshold: 3.00 Min relative intensity: 0.00 Points used for search: 7 Points used for smooth: 7 Filter type : 1 Filter moment : 2 No. Two-theta Ref Peak (CPS) D spacing Rel. peak Peak width Region --- --------- --- ---------- --------- --------- ---------- ------ 1 27.2886 16.2703 3.2654 0.6790 0.2800 0 2 27.4561 15.8075 3.2459 0.6597 0.2800 0 3 27.6953 19.3701 3.2184 0.8084 0.0600 0 4 28.4432 2396.0588 3.1355 100.0000 0.1600 0 5 29.3609 14.7739 3.0395 0.6166 0.1600 0 6 29.5508 3.8129 3.0204 0.1591 0.0000 0 SHADOW performs the following functions: S(S) - Search for peaks (and setup refinement regions) R - Refine peak parameters by profile fitting A(S) - Auto setup for refinement (with auto peak search) N - Open new pattern for analysis L - Line list functions P - Read/write parameter file E - Exit program Function ? s * Search criteria: Angular region for search ? 40 60 Angles for search: 40.0000 to 60.1800 2theta Perform standard search ? y Produce plotting from the search phase ? n Segment: 40.0000 to 60.1800 Points = 1010 Rwp after smoothing the raw data = 0.1456 Subtracting background from segment ***** P E A K S E A R C H R E S U L T S ***** Std devation threshold: 3.00 Min relative intensity: 0.00 Points used for search: 7 Points used for smooth: 7 Filter type : 1 Filter moment : 2 No. Two-theta Ref Peak (CPS) D spacing Rel. peak Peak width Region --- --------- --- ---------- --------- --------- ---------- ------ 1 46.6371 17.7200 1.9460 1.6366 0.0600 0 2 47.2935 1082.7522 1.9205 100.0000 0.0800 0 3 48.0841 14.7888 1.8907 1.3659 0.0600 0 4 48.2468 11.2950 1.8847 1.0432 0.2200 0 5 56.1090 527.5408 1.6379 48.7222 0.1000 0 SHADOW performs the following functions: S(S) - Search for peaks (and setup refinement regions) R - Refine peak parameters by profile fitting A(S) - Auto setup for refinement (with auto peak search) N - Open new pattern for analysis L - Line list functions P - Read/write parameter file E - Exit program Function ? s * Search criteria: Angular region for search ? 60 80 Angles for search: 60.0000 to 80.1800 2theta Perform standard search ? y Produce plotting from the search phase ? n Segment: 60.0000 to 80.1800 Points = 1010 Rwp after smoothing the raw data = 0.2942 Subtracting background from segment ***** P E A K S E A R C H R E S U L T S ***** Std devation threshold: 3.00 Min relative intensity: 0.00 Points used for search: 7 Points used for smooth: 7 Filter type : 1 Filter moment : 2 No. Two-theta Ref Peak (CPS) D spacing Rel. peak Peak width Region --- --------- --- ---------- --------- --------- ---------- ------ 1 68.7380 14.1590 1.3645 7.4079 0.1200 0 2 69.1011 112.1591 1.3582 58.6811 0.1000 0 3 69.2822 2 65.1590 1.3585 34.0909 0.1000 0 4 76.3496 191.1331 1.2463 100.0000 0.1000 0 5 76.5578 2 103.1318 1.2465 53.9581 0.0800 0 SHADOW performs the following functions: S(S) - Search for peaks (and setup refinement regions) R - Refine peak parameters by profile fitting A(S) - Auto setup for refinement (with auto peak search) N - Open new pattern for analysis L - Line list functions P - Read/write parameter file E - Exit program Function ? e ** Normal termination of SHADOW **