+
+
diff --git a/docs/_static/March2024/BMM/dossier/Zn_ZnO-01.html b/docs/_static/March2024/BMM/dossier/Zn_ZnO-01.html
new file mode 100644
index 0000000..f5dca82
--- /dev/null
+++ b/docs/_static/March2024/BMM/dossier/Zn_ZnO-01.html
@@ -0,0 +1,302 @@
+
+
+
+
+
+
+
+
+
+
+
+
+
+
Sample details
+
+ - Sample composition: ZnO
+ - Sample preparation: powder on tape
+ - Comment: sample courtesy Martin Stennett, University of Sheffield
+
+
+
+
Instrument: Ex situ sample wheel
+
+ - Slot number: 14
+ - Ring: outer
+
+
+
+
+
Snapshots
+
+ -
+
+
+ Rough, automated data reduction
+
+ -
+
+
+ Live plot of complete sequence
+
+ -
+
+
+ Image from XAS web camera
+ (uid)c2d654bb-0142-4570-b1d9-66f7f7bbec16
+
+ -
+
+
+ Image from analog pinhole camera
+ (uid)420ccf2c-1b7b-4003-a4e3-9f280f3ef886
+
+ -
+
+
+ Image from USB camera #1
+ (uid)28d548f2-2aab-4be9-b1cb-0cd65632d1c3
+
+ -
+
+
+ Image from USB camera #2
+ (uid)7245b758-e309-4d82-9223-160622099c2e
+
+
+
+
+
Scan details
+
+ - E0: 9658.6 eV
+ - Element: Zn (Zinc, 30)
+ - Edge: K
+ - Mode: transmission
+ - Bounds: -200.0 -30.0 -10.0 25.0 13k
+ - Steps: 10.0 2.0 0.3 0.05k
+ - Times: 0.5 0.5 0.5 0.5
+ - Reference: Zn foil
+
+
+
+
Experiment configuration
+
+ - Sequence start time: Thursday, March 21, 2024 01:54 PM
+ - Sequence end time: Thursday, March 21, 2024 02:01 PM
+ - Monochromator: Si(111)
+ - Photon delivery mode: D (unfocused, >8 keV)
+ - Pseudo-channel-cut energy: 9862.1 eV
+ - Experimenters: Bruce Ravel
+ - General user proposal (GUP): 315355
+ - Safety approval form (SAF): 313563
+
+
+
+
+
+
+
+
+ [scan]
+ring = Outer
+filename = best_sample_ever
+nscans = 1
+start = next
+mode = transmission
+element = Cu
+edge = K
+sample = YBa2Cu3O7
+prep = powder on tape
+comment = Welcome to BMM
+bounds = -200 -30 -10 25 13k
+steps = 10 2 0.3 0.05k
+times = 0.5 0.5 0.5 0.5
+snapshots = True
+htmlpage = True
+usbstick = False
+bothways = False
+channelcut = True
+ththth = False
+url = ...
+doi = ...
+cif = ...
+experimenters = Bruce Ravel
+
+
+
+ command line arguments: {'filename': 'Zn_ZnO', 'element': 'Zn', 'sample':
+'ZnO', 'comment': 'sample courtesy Martin
+Stennett, University of Sheffield'}
+
+
+
+
+
+
+
+
+
+
+
+
diff --git a/docs/_static/March2024/BMM/dossier/blank.png b/docs/_static/March2024/BMM/dossier/blank.png
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diff --git a/docs/_static/March2024/BMM/dossier/logo.png b/docs/_static/March2024/BMM/dossier/logo.png
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diff --git a/docs/_static/March2024/BMM/dossier/manifest.tmpl b/docs/_static/March2024/BMM/dossier/manifest.tmpl
new file mode 100644
index 0000000..4fd832c
--- /dev/null
+++ b/docs/_static/March2024/BMM/dossier/manifest.tmpl
@@ -0,0 +1,67 @@
+
+
+
+
+
+
+
+
+
Experiment: {date}
+
+
+
+
+
+
+
+
+
+
+
+
+
Experiment List
+
+ {experimentlist}
+
+
+
+
+
+
+
+
+
+
+
diff --git a/docs/_static/March2024/BMM/dossier/message.png b/docs/_static/March2024/BMM/dossier/message.png
new file mode 100644
index 0000000..db25de8
Binary files /dev/null and b/docs/_static/March2024/BMM/dossier/message.png differ
diff --git a/docs/_static/March2024/BMM/dossier/messagelog.css b/docs/_static/March2024/BMM/dossier/messagelog.css
new file mode 100644
index 0000000..040db53
--- /dev/null
+++ b/docs/_static/March2024/BMM/dossier/messagelog.css
@@ -0,0 +1,71 @@
+/* derived from https://www.w3schools.com/howto/howto_css_chat.asp */
+
+/* Chat containers */
+.container {
+ border: 0px solid #000;
+ background-color: #ffffff;
+ border-radius: 0px;
+ padding: 3px;
+ margin: 5px 0;
+}
+
+body {
+ background-color: #fff;
+}
+
+h1 {
+ color: #000000;
+}
+
+p {
+ margin: 0px;
+}
+
+/* Darker chat container */
+.darker {
+ border-color: #ccc;
+ background-color: #ddd;
+}
+
+/* Clear floats */
+.container::after {
+ content: "";
+ clear: both;
+ display: table;
+}
+
+/* Style images */
+.container div.left {
+ float: left;
+ max-width: 60px;
+ width: 100%;
+ margin-right: 20px;
+ border-radius: 50%;
+}
+
+/* Style the right image */
+.container div.right {
+ float: right;
+ margin-left: 20px;
+ margin-right:0;
+}
+
+/* Style time text */
+.time-right {
+ float: right;
+ color: #555;
+ font-size: 0.85em;
+}
+
+/* Style time text */
+.time-left {
+ float: left;
+ color: #555;
+ font-size: 0.85em;
+}
+
+.figuretitle {
+ color: #333;
+ font-weight: bold;
+ font-size: 1.2em;
+}
diff --git a/docs/_static/March2024/BMM/dossier/messagelog.html b/docs/_static/March2024/BMM/dossier/messagelog.html
new file mode 100644
index 0000000..eee68b4
--- /dev/null
+++ b/docs/_static/March2024/BMM/dossier/messagelog.html
@@ -0,0 +1,600 @@
+
+
+
+
+
+
+
+
+
+
Messages posted to the BMM #beamtime channel on Slack
+
+
+
2024-03-21T08-24-59
+
Configuring beamline for Fe K edge
+
+
+
+
2024-03-21T08-24-59
+
Moving from mode D to mode E
+
+
+
+
2024-03-21T08-24-59
+
M2 remaining collimated
+
+
+
+
2024-03-21T08-26-28
+
+Mirror amplifier fault? Attempting to correct the problem. (Attempt 1)
+
+
+
+
2024-03-21T08-30-21
+
Finished configuring for Fe K edge, now in photon delivery mode E
+
+
+
+
2024-03-21T09-55-50
+
Configuring beamline for Mn K edge
+
+
+
+
2024-03-21T09-55-51
+
Moving from mode E to mode E
+
+
+
+
2024-03-21T09-55-51
+
M2 remaining collimated
+
+
+
+
2024-03-21T09-57-53
+
Finished configuring for Mn K edge, now in photon delivery mode E
+
+
+
+
2024-03-21T10-10-11
+
Wheel sequence 1 of 7
+
+
+
+
2024-03-21T10-10-50
+
"Mn_Manganosite", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-10-50
+
starting repetition 1 of 1 -- Mn_Manganosite.001 -- 353 energy points, slot 1 outer ring
+
+
+
+
2024-03-21T10-17-45
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T10-17-46
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T10-17-47
+
wrote dossier Mn_Manganosite-01.html
+
+
+
+
2024-03-21T10-17-49
+
Mn_Manganosite_liveplot.png![](../snapshots/Mn_Manganosite_liveplot.png)
+
+
+
+
2024-03-21T10-17-49
+
Wheel sequence 2 of 7
+
+
+
+
2024-03-21T10-17-50
+
Mn_Manganosite.png![](../snapshots/Mn_Manganosite.png)
+
+
+
+
2024-03-21T10-18-10
+
"Mn_Mnfoil", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-18-10
+
starting repetition 1 of 1 -- Mn_Mnfoil.001 -- 353 energy points, slot 2 outer ring
+
+
+
+
2024-03-21T10-22-45
+
== XAFS scan sequence *stopped* ⚠️
+
+
+
+
2024-03-21T10-23-11
+
macro finished (0.0 hours, 13.0 minutes)
+
+
+
+
2024-03-21T10-27-33
+
Wheel sequence 1 of 5
+
+
+
+
2024-03-21T10-27-43
+
"Mn_Bixbyite", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-27-43
+
starting repetition 1 of 1 -- Mn_Bixbyite.001 -- 353 energy points, slot 3 outer ring
+
+
+
+
2024-03-21T10-34-49
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T10-34-49
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T10-34-50
+
wrote dossier Mn_Bixbyite-01.html
+
+
+
+
2024-03-21T10-34-52
+
Mn_Bixbyite_liveplot.png![](../snapshots/Mn_Bixbyite_liveplot.png)
+
+
+
+
2024-03-21T10-34-52
+
Wheel sequence 2 of 5
+
+
+
+
2024-03-21T10-34-53
+
Mn_Bixbyite.png![](../snapshots/Mn_Bixbyite.png)
+
+
+
+
2024-03-21T10-35-14
+
"Mn_Pyrolucite", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-35-14
+
starting repetition 1 of 1 -- Mn_Pyrolucite.001 -- 353 energy points, slot 4 outer ring
+
+
+
+
2024-03-21T10-42-19
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T10-42-19
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T10-42-20
+
wrote dossier Mn_Pyrolucite-01.html
+
+
+
+
2024-03-21T10-42-22
+
Mn_Pyrolucite_liveplot.png![](../snapshots/Mn_Pyrolucite_liveplot.png)
+
+
+
+
2024-03-21T10-42-22
+
Wheel sequence 3 of 5
+
+
+
+
2024-03-21T10-42-24
+
Mn_Pyrolucite.png![](../snapshots/Mn_Pyrolucite.png)
+
+
+
+
2024-03-21T10-42-43
+
"Mn_Rhodocrosite", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-42-43
+
starting repetition 1 of 1 -- Mn_Rhodocrosite.001 -- 353 energy points, slot 5 outer ring
+
+
+
+
2024-03-21T10-49-48
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T10-49-49
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T10-49-50
+
wrote dossier Mn_Rhodocrosite-01.html
+
+
+
+
2024-03-21T10-49-52
+
Mn_Rhodocrosite_liveplot.png![](../snapshots/Mn_Rhodocrosite_liveplot.png)
+
+
+
+
2024-03-21T10-49-53
+
Wheel sequence 4 of 5
+
+
+
+
2024-03-21T10-49-53
+
Mn_Rhodocrosite.png![](../snapshots/Mn_Rhodocrosite.png)
+
+
+
+
2024-03-21T10-50-41
+
"Mn_Babingtonite", Mn K edge, 1 scan
+
+
+
+
2024-03-21T10-50-41
+
starting repetition 1 of 1 -- Mn_Babingtonite.001 -- 336 energy points, slot 9 outer ring
+
+
+
+
2024-03-21T11-00-22
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T11-00-23
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T11-00-23
+
wrote dossier Mn_Babingtonite-01.html
+
+
+
+
2024-03-21T11-00-26
+
Mn_Babingtonite_liveplot.png![](../snapshots/Mn_Babingtonite_liveplot.png)
+
+
+
+
2024-03-21T11-00-26
+
Wheel sequence 5 of 5
+
+
+
+
2024-03-21T11-00-27
+
Mn_Babingtonite.png![](../snapshots/Mn_Babingtonite.png)
+
+
+
+
2024-03-21T11-00-36
+
Configuring beamline for Fe K edge
+
+
+
+
2024-03-21T11-00-36
+
Moving from mode E to mode E
+
+
+
+
2024-03-21T11-00-37
+
M2 remaining collimated
+
+
+
+
2024-03-21T11-02-41
+
Finished configuring for Fe K edge, now in photon delivery mode E
+
+
+
+
2024-03-21T11-02-57
+
"Fe_Babingtonite", Fe K edge, 1 scan
+
+
+
+
2024-03-21T11-02-57
+
starting repetition 1 of 1 -- Fe_Babingtonite.001 -- 336 energy points, slot 9 outer ring
+
+
+
+
2024-03-21T11-12-35
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T11-12-36
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T11-12-37
+
wrote dossier Fe_Babingtonite-01.html
+
+
+
+
2024-03-21T11-12-39
+
Fe_Babingtonite_liveplot.png![](../snapshots/Fe_Babingtonite_liveplot.png)
+
+
+
+
2024-03-21T11-12-40
+
Fe_Babingtonite.png![](../snapshots/Fe_Babingtonite.png)
+
+
+
+
2024-03-21T11-12-49
+
macro finished (0.0 hours, 45.0 minutes)
+
+
+
+
2024-03-21T12-47-27
+
Configuring beamline for Zn K edge
+
+
+
+
2024-03-21T12-47-28
+
Moving from mode E to mode D
+
+
+
+
2024-03-21T12-47-28
+
M2 remaining collimated
+
+
+
+
2024-03-21T12-51-11
+
Finished configuring for Zn K edge, now in photon delivery mode D
+
+
+
+
2024-03-21T13-53-41
+
Wheel sequence 1 of 4
+
+
+
+
2024-03-21T13-54-24
+
"Zn_ZnO", Zn K edge, 1 scan
+
+
+
+
2024-03-21T13-54-24
+
starting repetition 1 of 1 -- Zn_ZnO.001 -- 353 energy points, slot 14 outer ring
+
+
+
+
2024-03-21T14-01-33
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T14-01-34
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T14-01-35
+
wrote dossier Zn_ZnO-01.html
+
+
+
+
2024-03-21T14-01-37
+
Zn_ZnO_liveplot.png![](../snapshots/Zn_ZnO_liveplot.png)
+
+
+
+
2024-03-21T14-01-37
+
Wheel sequence 2 of 4
+
+
+
+
2024-03-21T14-01-38
+
Zn_ZnO.png![](../snapshots/Zn_ZnO.png)
+
+
+
+
2024-03-21T14-01-55
+
"Zn_Willemite", Zn K edge, 1 scan
+
+
+
+
2024-03-21T14-01-55
+
starting repetition 1 of 1 -- Zn_Willemite.001 -- 353 energy points, slot 16 outer ring
+
+
+
+
2024-03-21T14-08-51
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T14-08-52
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T14-08-53
+
wrote dossier Zn_Willemite-01.html
+
+
+
+
2024-03-21T14-08-54
+
Zn_Willemite_liveplot.png![](../snapshots/Zn_Willemite_liveplot.png)
+
+
+
+
2024-03-21T14-08-55
+
Wheel sequence 3 of 4
+
+
+
+
2024-03-21T14-08-56
+
Zn_Willemite.png![](../snapshots/Zn_Willemite.png)
+
+
+
+
2024-03-21T14-09-15
+
"Zn_Hardystonite", Zn K edge, 1 scan
+
+
+
+
2024-03-21T14-09-15
+
starting repetition 1 of 1 -- Zn_Hardystonite.001 -- 353 energy points, slot 19 outer ring
+
+
+
+
2024-03-21T14-16-17
+
ML data evaluation model: ✔️
+
+
+
+
2024-03-21T14-16-17
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T14-16-18
+
wrote dossier Zn_Hardystonite-01.html
+
+
+
+
2024-03-21T14-16-20
+
Zn_Hardystonite_liveplot.png![](../snapshots/Zn_Hardystonite_liveplot.png)
+
+
+
+
2024-03-21T14-16-20
+
Wheel sequence 4 of 4
+
+
+
+
2024-03-21T14-16-21
+
Zn_Hardystonite.png![](../snapshots/Zn_Hardystonite.png)
+
+
+
+
2024-03-21T14-16-59
+
"Zn_Petedunnite", Zn K edge, 1 scan
+
+
+
+
2024-03-21T14-16-59
+
starting repetition 1 of 1 -- Zn_Petedunnite.001 -- 353 energy points, slot 18 outer ring
+
+
+
+
2024-03-21T14-27-01
+
ML data evaluation model: ✖️
+
+
+
+
2024-03-21T14-27-02
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T14-27-03
+
wrote dossier Zn_Petedunnite-01.html
+
+
+
+
2024-03-21T14-27-05
+
Zn_Petedunnite_liveplot.png![](../snapshots/Zn_Petedunnite_liveplot.png)
+
+
+
+
2024-03-21T14-27-06
+
Zn_Petedunnite.png![](../snapshots/Zn_Petedunnite.png)
+
+
+
+
2024-03-21T14-27-14
+
macro finished (0.0 hours, 33.0 minutes)
+
+
+
+
2024-03-21T14-30-41
+
Configuring beamline for Fe K edge
+
+
+
+
2024-03-21T14-30-41
+
Moving from mode D to mode E
+
+
+
+
2024-03-21T14-30-41
+
M2 remaining collimated
+
+
+
+
2024-03-21T14-34-23
+
Finished configuring for Fe K edge, now in photon delivery mode E
+
+
+
+
2024-03-21T14-37-29
+
Wheel sequence 1 of 1
+
+
+
+
2024-03-21T14-37-40
+
"Fe_Petedunnite", Fe K edge, 1 scan
+
+
+
+
2024-03-21T14-37-40
+
starting repetition 1 of 1 -- Fe_Petedunnite.001 -- 353 energy points, slot 18 outer ring
+
+
+
+
2024-03-21T14-48-14
+
ML data evaluation model: ✖️
+
+
+
+
2024-03-21T14-48-15
+
== XAFS scan sequence finished 🎉
+
+
+
+
2024-03-21T14-48-17
+
wrote dossier Fe_Petedunnite-01.html
+
+
+
+
2024-03-21T14-48-18
+
Fe_Petedunnite_liveplot.png![](../snapshots/Fe_Petedunnite_liveplot.png)
+
+
+
+
2024-03-21T14-48-20
+
Fe_Petedunnite.png![](../snapshots/Fe_Petedunnite.png)
+
+
+
+
2024-03-21T14-48-28
+
macro finished (0.0 hours, 10.0 minutes)
+
+
+
+
diff --git a/docs/_static/March2024/BMM/dossier/plot.png b/docs/_static/March2024/BMM/dossier/plot.png
new file mode 100644
index 0000000..3717e8b
Binary files /dev/null and b/docs/_static/March2024/BMM/dossier/plot.png differ
diff --git a/docs/_static/March2024/BMM/dossier/style.css b/docs/_static/March2024/BMM/dossier/style.css
new file mode 100644
index 0000000..9f31162
--- /dev/null
+++ b/docs/_static/March2024/BMM/dossier/style.css
@@ -0,0 +1,404 @@
+/*
+ Neutral Charisma by nodethirtythree + Templated.org
+ http://templated.org/ | @templatedorg
+ Released under the Creative Commons Attribution 3.0 License.
+*/
+
+* {
+ margin: 0;
+ padding: 0;
+}
+
+a {
+ color: #f42555;
+ text-decoration: underline;
+}
+
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+ text-decoration: none;
+}
+
+body {
+ font-size: 12pt;
+ line-height: 1.75em;
+ font-family: sans-serif;
+ background: #0b0f0e;
+ color: #c2c3c3;
+}
+
+br.clear {
+ clear: both;
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diff --git a/docs/_static/March2024/BMM/templates/linkam.xlsx b/docs/_static/March2024/BMM/templates/linkam.xlsx
new file mode 100644
index 0000000..0768c67
Binary files /dev/null and b/docs/_static/March2024/BMM/templates/linkam.xlsx differ
diff --git a/docs/_static/March2024/BMM/templates/raster.ini b/docs/_static/March2024/BMM/templates/raster.ini
new file mode 100644
index 0000000..9abd358
--- /dev/null
+++ b/docs/_static/March2024/BMM/templates/raster.ini
@@ -0,0 +1,25 @@
+########################################### -*- conf -*-
+[scan]
+experimenters = Bruce Ravel
+
+fast = xafs_x -9 9 90
+slow = xafs_y -9 9 90
+dwelltime = 0.1
+detector = random
+# detector = 'It', 'If', or 'random' (for testing)
+
+filename = best_sample_ever
+
+element = Ce
+edge = L3
+energy = 5738.3
+
+sample =
+prep =
+comment =
+
+## these control how the final image is made
+## contour = True plots filled contours, False is to show pixels as measured
+## log = True means to put the color scale on a log scale, False means linear scale
+contour = False
+log = False
diff --git a/docs/_static/March2024/BMM/templates/sample_macro.py b/docs/_static/March2024/BMM/templates/sample_macro.py
new file mode 100644
index 0000000..016afcf
--- /dev/null
+++ b/docs/_static/March2024/BMM/templates/sample_macro.py
@@ -0,0 +1,75 @@
+######################################################### -*- python -*-
+# Cut and paste this line to import your macro after editing:
+#
+# %run -i '/nsls2/data3/bmm/XAS/2024-1/313563/2024-03-21/sample_macro.py'
+#
+# Verify that your macro was loaded correctly:
+#
+# sample_macro??
+#
+# Then run the macro:
+#
+# RE(sample_macro())
+# /
+############### / #######################################
+# /
+# / Note that you are defining a command
+# / that gets run in BlueSky
+# V
+from BMM.suspenders import BMM_suspenders, BMM_clear_suspenders
+from BMM.functions import not_at_edge
+def sample_macro(dryrun=False, ref=False):
+ '''User-defined macro for running a sequence of XAFS measurements
+ using (example...)
+ '''
+ (ok, text) = BMM_clear_to_start()
+ if ok is False:
+ print(error_msg('\n'+text) + bold_msg('Quitting macro....\n'))
+ return(yield from null())
+
+ BMMuser.macro_dryrun = dryrun
+ BMMuser.prompt, BMMuser.running_macro = False, True
+ BMMuser.instrument = ''
+ BMM_log_info('Beginning sample_macro')
+ def main_plan(ref):
+
+ ### ---------------------------------------------------------------------------------------
+ ### BOILERPLATE ABOVE THIS LINE -----------------------------------------------------------
+ ## EDIT BELOW THIS LINE
+ #<--indentation matters!
+
+
+ ## sample 1
+ yield from slot(1)
+ yield from xafs('scan.ini', filename='samp1', sample='first sample')
+ close_last_plot()
+
+ ## sample 2
+ yield from slot(2)
+ ## yield from mvr(xafs_x, 0.5)
+ yield from xafs('scan.ini', filename='samp2', sample='another sample', comment='my comment')
+ close_last_plot()
+
+ ## sample 3
+ yield from slot(3)
+ yield from xafs('scan.ini', filename='samp3', sample='a different sample', prep='this sample prep', nscans=4)
+ close_last_plot()
+
+ ## EDIT ABOVE THIS LINE
+ ### BOILERPLATE BELOW THIS LINE -----------------------------------------------------------
+ ### ---------------------------------------------------------------------------------------
+
+ def cleanup_plan():
+ yield from end_of_macro()
+
+ (hours, minutes, seconds) = elapsed_time(start)
+ report(f'{BMMuser.instrument} macro finished ({hours} hours, {minutes} minutes)', level='bold', slack=True)
+ print(bold_msg('[Hint] to start Athena:\t\t') + '%athena')
+
+
+ start = time.time()
+
+ BMM_suspenders()
+ yield from finalize_wrapper(main_plan(ref), cleanup_plan())
+ yield from end_of_macro()
+ BMM_log_info('sample_macro finished!')
diff --git a/docs/_static/March2024/BMM/templates/sead.ini b/docs/_static/March2024/BMM/templates/sead.ini
new file mode 100644
index 0000000..5a21b78
--- /dev/null
+++ b/docs/_static/March2024/BMM/templates/sead.ini
@@ -0,0 +1,25 @@
+########################################### -*- conf -*-
+[scan]
+
+filename = sead_test
+experimenters = Bruce Ravel
+
+energy = 9831.8
+element = Cu
+edge = K
+
+sample =
+prep =
+comment =
+
+npoints = 15
+dwell = 0.5
+delay = 0.1
+
+start = next
+
+## set shutter to True to automate shutter open/close, minimize beam exposure
+shutter = False
+
+## mode is one of transmission, fluorescence, reference
+mode = test
diff --git a/docs/_static/March2024/BMM/templates/wheel.xlsx b/docs/_static/March2024/BMM/templates/wheel.xlsx
new file mode 100644
index 0000000..f12a33e
Binary files /dev/null and b/docs/_static/March2024/BMM/templates/wheel.xlsx differ
diff --git a/docs/_static/March2024/BMM/templates/xafs.ini b/docs/_static/March2024/BMM/templates/xafs.ini
new file mode 100644
index 0000000..b92fc46
--- /dev/null
+++ b/docs/_static/March2024/BMM/templates/xafs.ini
@@ -0,0 +1,30 @@
+########################################### -*- conf -*-
+[scan]
+experimenters = Bruce Ravel
+
+filename = best_sample_ever
+
+sample =
+prep =
+comment =
+
+element = Fe
+edge = K
+
+nscans = 1
+start = next
+# start is a positive integer or "next"
+
+## mode is one of transmission, fluorescence, both, or reference
+mode = fluorescence
+
+#### EXAFS scan parameters ####
+## 1 2 3 4 regions relative to e0
+bounds = -200 -30 -10 25 13k
+steps = 10 2.0 0.5 0.05k
+times = 0.5 0.5 0.5 0.5
+
+#### quick-n-dirty XANES scan parameters ####
+#bounds = -40 30
+#steps = 1
+#times = 0.5
diff --git a/docs/_static/March2024/BMM/wheel.xlsx b/docs/_static/March2024/BMM/wheel.xlsx
new file mode 100644
index 0000000..209e41d
Binary files /dev/null and b/docs/_static/March2024/BMM/wheel.xlsx differ
diff --git a/docs/_static/March2024/BMM/wheel1.ini b/docs/_static/March2024/BMM/wheel1.ini
new file mode 100644
index 0000000..c5f881a
--- /dev/null
+++ b/docs/_static/March2024/BMM/wheel1.ini
@@ -0,0 +1,25 @@
+[scan]
+ring = Outer
+filename = best_sample_ever
+nscans = 1
+start = next
+mode = transmission
+element = Mn
+edge = K
+sample = YBa2Cu3O7
+prep = powder on tape
+comment = Welcome to BMM
+bounds = -200 -30 -10 25 13k
+steps = 10 2 0.3 0.05k
+times = 0.5 0.5 0.5 0.5
+snapshots = True
+htmlpage = True
+usbstick = False
+bothways = False
+channelcut = True
+ththth = False
+url = ...
+doi = ...
+cif = ...
+experimenters = XAS course 2024
+
diff --git a/docs/_static/March2024/BMM/wheel1_macro.py b/docs/_static/March2024/BMM/wheel1_macro.py
new file mode 100644
index 0000000..1d74193
--- /dev/null
+++ b/docs/_static/March2024/BMM/wheel1_macro.py
@@ -0,0 +1,103 @@
+######################################################### -*- python -*-
+# Cut and paste this line to import your macro after editing:
+#
+# %run -i '/nsls2/data3/bmm/XAS/2024-1/313563/2024-03-21//wheel1_macro.py'
+#
+# Verify that your macro was loaded correctly:
+#
+# wheel1_macro??
+#
+# Then run the macro:
+#
+# RE(wheel1_macro())
+# /
+############### / #######################################
+# /
+# / Note that you are defining a command
+# / that gets run in BlueSky
+# V
+from BMM.suspenders import BMM_suspenders, BMM_clear_suspenders
+from BMM.functions import not_at_edge
+def wheel1_macro(dryrun=False, ref=False):
+ '''User-defined macro for running a sequence of XAFS measurements
+ using a standard sample wheel
+ '''
+ (ok, text) = BMM_clear_to_start()
+ if ok is False:
+ print(error_msg('\n'+text) + bold_msg('Quitting macro....\n'))
+ return(yield from null())
+
+ BMMuser.macro_dryrun = dryrun
+ BMMuser.prompt, BMMuser.running_macro = False, True
+ BMMuser.instrument = 'double wheel'
+ BMM_log_info('Beginning wheel1_macro')
+ def main_plan(ref):
+
+ ### ---------------------------------------------------------------------------------------
+ ### BOILERPLATE ABOVE THIS LINE -----------------------------------------------------------
+ ## EDIT BELOW THIS LINE
+ #<--indentation matters!
+
+ ## change edge before starting, if needed...
+ if not_at_edge('Mn', 'K'):
+ yield from change_edge('Mn', edge='K', focus=False)
+
+ report("Wheel sequence 1 of 5", level="bold", slack=True)
+ yield from slot(3)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 205.00)
+ yield from xafs('wheel1.ini', filename='Mn_Bixbyite', sample='Mn2O3', prep='PEG pellet')
+ close_last_plot()
+
+ report("Wheel sequence 2 of 5", level="bold", slack=True)
+ yield from slot(4)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 205.00)
+ yield from xafs('wheel1.ini', filename='Mn_Pyrolucite', sample='MnO2', prep='PEG pellet')
+ close_last_plot()
+
+ report("Wheel sequence 3 of 5", level="bold", slack=True)
+ yield from slot(5)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 205.00)
+ yield from xafs('wheel1.ini', filename='Mn_Rhodocrosite', sample='MnCO3', prep='PEG pellet')
+ close_last_plot()
+
+ report("Wheel sequence 4 of 5", level="bold", slack=True)
+ yield from slot(9)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 40.00)
+ yield from xafs('wheel1.ini', filename='Mn_Babingtonite', mode='both', sample='Ca2Fe0.75Mn0.25FeSi5O14(OH)', prep='PEG pellet', comment='Babingtonite, CM14452; Lane\'s Quarry, Westfield, Hampden County, Massachusetts', bounds='-200 -30 -10 25 560', times='1 1 1 1')
+ close_last_plot()
+
+ report("Wheel sequence 5 of 5", level="bold", slack=True)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 120.00)
+ yield from change_edge('Fe', edge='K', focus=False)
+ yield from xafs('wheel1.ini', filename='Fe_Babingtonite', mode='both', element='Fe', sample='Ca2Fe0.75Mn0.25FeSi5O14(OH)', prep='PEG pellet', comment='Babingtonite, CM14452; Lane\'s Quarry, Westfield, Hampden County, Massachusetts', bounds='-200 -30 -10 25 560', times='1 1 1 1')
+ close_last_plot()
+
+ if not dryrun:
+ BMMuser.running_macro = False
+ BMM_clear_suspenders()
+ yield from shb.close_plan()
+
+
+ ## EDIT ABOVE THIS LINE
+ ### BOILERPLATE BELOW THIS LINE -----------------------------------------------------------
+ ### ---------------------------------------------------------------------------------------
+
+ def cleanup_plan():
+ yield from end_of_macro()
+ yield from xafs_wheel.reset()
+ (hours, minutes, seconds) = elapsed_time(start)
+ report(f'{BMMuser.instrument} macro finished ({hours} hours, {minutes} minutes)', level='bold', slack=True)
+ print(bold_msg('[Hint] to start Athena:\t\t') + '%athena')
+
+
+ start = time.time()
+
+ BMM_suspenders()
+ yield from finalize_wrapper(main_plan(ref), cleanup_plan())
+ yield from end_of_macro()
+ BMM_log_info('wheel1_macro finished!')
diff --git a/docs/_static/March2024/BMM/wheel2.ini b/docs/_static/March2024/BMM/wheel2.ini
new file mode 100644
index 0000000..55a8f49
--- /dev/null
+++ b/docs/_static/March2024/BMM/wheel2.ini
@@ -0,0 +1,25 @@
+[scan]
+ring = Outer
+filename = best_sample_ever
+nscans = 1
+start = next
+mode = transmission
+element = Cu
+edge = K
+sample = YBa2Cu3O7
+prep = powder on tape
+comment = Welcome to BMM
+bounds = -200 -30 -10 25 13k
+steps = 10 2 0.3 0.05k
+times = 0.5 0.5 0.5 0.5
+snapshots = True
+htmlpage = True
+usbstick = False
+bothways = False
+channelcut = True
+ththth = False
+url = ...
+doi = ...
+cif = ...
+experimenters = Bruce Ravel
+
diff --git a/docs/_static/March2024/BMM/wheel2_macro.py b/docs/_static/March2024/BMM/wheel2_macro.py
new file mode 100644
index 0000000..c8275ec
--- /dev/null
+++ b/docs/_static/March2024/BMM/wheel2_macro.py
@@ -0,0 +1,76 @@
+######################################################### -*- python -*-
+# Cut and paste this line to import your macro after editing:
+#
+# %run -i '/nsls2/data3/bmm/XAS/2024-1/313563/2024-03-21//wheel2_macro.py'
+#
+# Verify that your macro was loaded correctly:
+#
+# wheel2_macro??
+#
+# Then run the macro:
+#
+# RE(wheel2_macro())
+# /
+############### / #######################################
+# /
+# / Note that you are defining a command
+# / that gets run in BlueSky
+# V
+from BMM.suspenders import BMM_suspenders, BMM_clear_suspenders
+from BMM.functions import not_at_edge
+def wheel2_macro(dryrun=False, ref=False):
+ '''User-defined macro for running a sequence of XAFS measurements
+ using a standard sample wheel
+ '''
+ (ok, text) = BMM_clear_to_start()
+ if ok is False:
+ print(error_msg('\n'+text) + bold_msg('Quitting macro....\n'))
+ return(yield from null())
+
+ BMMuser.macro_dryrun = dryrun
+ BMMuser.prompt, BMMuser.running_macro = False, True
+ BMMuser.instrument = 'double wheel'
+ BMM_log_info('Beginning wheel2_macro')
+ def main_plan(ref):
+
+ ### ---------------------------------------------------------------------------------------
+ ### BOILERPLATE ABOVE THIS LINE -----------------------------------------------------------
+ ## EDIT BELOW THIS LINE
+ #<--indentation matters!
+
+ ## change edge before starting, if needed...
+ if not_at_edge('Fe', 'K'):
+ yield from change_edge('Fe', edge='K', focus=False)
+
+ report("Wheel sequence 1 of 1", level="bold", slack=True)
+ yield from slot(18)
+ yield from xafs_wheel.outer() # outer ring
+ yield from mv(xafs_det, 35.00)
+ yield from change_edge('Fe', edge='K', focus=False)
+ yield from xafs('wheel2.ini', filename='Fe_Petedunnite', mode='both', element='Fe', sample='Ca(Zn,Mn,Fe,Mg)Si2O6', comment='sample courtesy Martin Stennett, University of Sheffield', times='1 1 1 1')
+ close_last_plot()
+
+ if not dryrun:
+ BMMuser.running_macro = False
+ BMM_clear_suspenders()
+ yield from shb.close_plan()
+
+
+ ## EDIT ABOVE THIS LINE
+ ### BOILERPLATE BELOW THIS LINE -----------------------------------------------------------
+ ### ---------------------------------------------------------------------------------------
+
+ def cleanup_plan():
+ yield from end_of_macro()
+ yield from xafs_wheel.reset()
+ (hours, minutes, seconds) = elapsed_time(start)
+ report(f'{BMMuser.instrument} macro finished ({hours} hours, {minutes} minutes)', level='bold', slack=True)
+ print(bold_msg('[Hint] to start Athena:\t\t') + '%athena')
+
+
+ start = time.time()
+
+ BMM_suspenders()
+ yield from finalize_wrapper(main_plan(ref), cleanup_plan())
+ yield from end_of_macro()
+ BMM_log_info('wheel2_macro finished!')
diff --git a/docs/_static/March2024/FeS2/FeS2.inp b/docs/_static/March2024/FeS2/FeS2.inp
new file mode 100644
index 0000000..a65e0d3
--- /dev/null
+++ b/docs/_static/March2024/FeS2/FeS2.inp
@@ -0,0 +1,16 @@
+title name: Iron sulfide (pyrite)
+title formula: FeS_2
+title refer1: Elliot (1960) J.Chem. Phys. 33(3), 903.
+space P a 3
+a = 5.404
+rmax = 9.00 rpath = 6.00
+core = Fe
+atoms
+ Fe 0.00000 0.00000 0.00000 Fe
+ S 0.38400 0.38400 0.38400 S
+
+
+!!&& Local Variables:
+!!&& input-program-name: "atoms"
+!!&& End:
+%# Input-mode Time-stamp: <2011/10/14 13:23:33 bruce>
diff --git a/docs/_static/March2024/FeS2/FeS2_RT.xmu b/docs/_static/March2024/FeS2/FeS2_RT.xmu
new file mode 100644
index 0000000..363af23
--- /dev/null
+++ b/docs/_static/March2024/FeS2/FeS2_RT.xmu
@@ -0,0 +1,369 @@
+#%name: FeS2 powder Room Temperature
+#%atom: FeS2
+#%edge: K
+#%xtal: FeS2.inp
+#%prep: powder on tape, 4 layers
+#%ref: none
+#%misc: Energy drive values recorded (encoder used, not recorded)
+#%det: I0=N2 15cm; I1=N2 15cm
+#%temp: Room Temperature
+#%beam: GSECARS 13BM, vert slits = 2mm (at 45m)
+#%mono: Si(111) unfocussed, detuned 50%
+#%date: Sat Mar 16 15:13:22 2002
+#%cols: 348 E XMU I0
+#------------------------
+# energy xmu i0
+ 6911.8277 0.80926541 272002.00
+ 6916.9236 0.80418730 270032.00
+ 6921.7638 0.79959074 268827.00
+ 6926.8750 0.79459529 267514.00
+ 6931.7907 0.79004613 255214.00
+
+ 6962.0000 0.78791063 305150.00
+ 6972.0000 0.77475191 306445.00
+ 6982.0000 0.76169076 306446.00
+ 6992.0000 0.74992551 306744.00
+ 7002.0000 0.73660315 306246.00
+ 7012.0000 0.72423404 306358.00
+ 7022.0000 0.71196509 306309.00
+ 7032.0000 0.70002723 306019.00
+ 7042.0000 0.68735767 306529.00
+ 7052.0000 0.67439453 306124.00
+ 7062.0000 0.66235517 306188.00
+ 7072.0000 0.65022361 306119.00
+ 7082.0000 0.63942705 306143.00
+ 7092.0000 0.62824650 306098.00
+ 7092.5000 0.62753795 305825.00
+ 7093.0000 0.62748380 305756.00
+ 7093.5000 0.62785219 305745.00
+ 7094.0000 0.62636441 305717.00
+ 7094.5000 0.62575793 305670.00
+ 7095.0000 0.62551244 305666.00
+ 7095.5000 0.62515947 305631.00
+ 7096.0000 0.62492947 305585.00
+ 7096.5000 0.62367544 305536.00
+ 7097.0000 0.62332504 305539.00
+ 7097.5000 0.62259547 305510.00
+ 7098.0000 0.62252464 305466.00
+ 7098.5000 0.62240279 305494.00
+ 7099.0000 0.62172416 305432.00
+ 7099.5000 0.62098768 305503.00
+ 7100.0000 0.62118707 305402.00
+ 7100.5000 0.62045272 305414.00
+ 7101.0000 0.62040785 305391.00
+ 7101.5000 0.62002332 305400.00
+ 7102.0000 0.61932445 305952.00
+ 7102.5000 0.61954721 305420.00
+ 7103.0000 0.61934375 304860.00
+ 7103.5000 0.61907141 305180.00
+ 7104.0000 0.61843263 305180.00
+ 7104.5000 0.61879967 305435.00
+ 7105.0000 0.61854579 305144.00
+ 7105.5000 0.61837948 305045.00
+ 7106.0000 0.61887282 304943.00
+ 7106.5000 0.61837848 305015.00
+ 7107.0000 0.61844121 305023.00
+ 7107.5000 0.61908174 304990.00
+ 7108.0000 0.62025344 305117.00
+ 7108.5000 0.62083284 305305.00
+ 7109.0000 0.62279082 304852.00
+ 7109.5000 0.62484776 304938.00
+ 7110.0000 0.63029578 305214.00
+ 7110.5000 0.63827614 304831.00
+ 7111.0000 0.65354125 304668.00
+ 7111.5000 0.67171017 304489.00
+ 7112.0000 0.68465719 304804.00
+ 7112.5000 0.68977450 304821.00
+ 7113.0000 0.68982223 304700.00
+ 7113.5000 0.68880150 304652.00
+ 7114.0000 0.68631667 304907.00
+ 7114.5000 0.68636382 304536.00
+ 7115.0000 0.69345881 305540.00
+ 7115.5000 0.71368054 306249.00
+ 7116.0000 0.75470012 306100.00
+ 7116.5000 0.82334644 305917.00
+ 7117.0000 0.91897755 306536.00
+ 7117.5000 1.0048919 306925.00
+ 7118.0000 1.0613446 306741.00
+ 7118.5000 1.1171460 306475.00
+ 7119.0000 1.1598287 306428.00
+ 7119.5000 1.1845153 306460.00
+ 7120.0000 1.1839175 306450.00
+ 7120.5000 1.1705836 306582.00
+ 7121.0000 1.1532435 306359.00
+ 7121.5000 1.1455536 306364.00
+ 7122.0000 1.1474359 306349.00
+ 7122.5000 1.1522733 306255.00
+ 7123.0000 1.1570854 306266.00
+ 7123.5000 1.1609012 306230.00
+ 7124.0000 1.1633654 306227.00
+ 7124.5000 1.1626865 306371.00
+ 7125.0000 1.1609214 306051.00
+ 7125.5000 1.1630846 306141.00
+ 7126.0000 1.1694208 306113.00
+ 7126.5000 1.1791744 306099.00
+ 7127.0000 1.1920499 306090.00
+ 7127.5000 1.2050365 306010.00
+ 7128.0000 1.2176110 306003.00
+ 7128.5000 1.2307236 305954.00
+ 7129.0000 1.2447142 305942.00
+ 7129.5000 1.2590796 306047.00
+ 7130.0000 1.2750382 305942.00
+ 7130.5000 1.2916155 305940.00
+ 7131.0000 1.3069910 305777.00
+ 7131.5000 1.3214558 305771.00
+ 7132.0000 1.3316754 305988.00
+ 7132.8830 1.3507457 305946.00
+ 7133.7850 1.3673679 305893.00
+ 7134.7070 1.3796873 305719.00
+ 7135.6470 1.3878931 305734.00
+ 7136.6060 1.3912805 305686.00
+ 7137.5840 1.3911931 305808.00
+ 7138.5820 1.3880279 305655.00
+ 7139.5990 1.3853474 305680.00
+ 7140.6340 1.3831500 305655.00
+ 7141.6890 1.3775299 305647.00
+ 7142.7630 1.3673370 305546.00
+ 7143.8560 1.3502223 305620.00
+ 7144.9680 1.3336271 305565.00
+ 7146.0990 1.3195536 305942.00
+ 7147.2490 1.3074943 305369.00
+ 7148.4180 1.2960234 305508.00
+ 7149.6060 1.2858296 305329.00
+ 7150.8140 1.2749358 305424.00
+ 7152.0410 1.2649495 305227.00
+ 7153.2860 1.2568554 305483.00
+ 7154.5510 1.2512398 305317.00
+ 7155.8340 1.2450083 305327.00
+ 7157.1370 1.2358616 305362.00
+ 7158.4590 1.2228915 305483.00
+ 7159.8000 1.2062374 305185.00
+ 7161.1600 1.1928682 305200.00
+ 7162.5390 1.1842737 305144.00
+ 7163.9370 1.1854668 305132.00
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diff --git a/docs/_static/March2024/FeS2/FeS2_final.fpj b/docs/_static/March2024/FeS2/FeS2_final.fpj
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new file mode 100644
index 0000000..b04e307
--- /dev/null
+++ b/docs/_static/March2024/FeS2/README.org
@@ -0,0 +1,122 @@
+This directory contains the crystallographic data for Iron Sulfide
+(pyrite, FeS2) along with a transmission scan of FeS2 taken at room
+temperature at beamline 13BM at the APS. The data was taken from
+Matt's data archive at
+ [[http://cars9.uchicago.edu/~newville/ModelLib/search.html]]
+
+This is sufficient information to begin a fitting project for FeS2.
+In this README file, I'll write steps to take to work through this
+example. You should not consider this to be a recipe -- at each step
+you should play around with the settings in either Athena or Artemis
+to understand fully these data and the programs.
+
+The file ~FeS2_final.fpj~ is an Artemis project file containing the
+final fitting model that I show when presenting this fit during an XAS
+workshop. This example is [[http://bruceravel.github.io/demeter/artug/examples/fes2.html][worked through]] in the Artemis Users' Guide.
+It is also the topic of the fifth video from [[http://www.diamond.ac.uk/Home/Events/Past_events/XAS-workshop-2011.html%3FmgnlCK%3D1339516257183][the 2011 XAS workshop at
+Diamond]]. Finally, check out [[https://speakerdeck.com/bruceravel/discussion-of-the-fes2-exafs-analysis-example][this presentation]] for discussion of the
+details of this fit and its model.
+
+
+ 1. Fire up Athena. Import the data file.
+
+ 2. Find a set of parameters that gives a good background removal and
+ Fourier transform. Note that the first few data points in the
+ pre-edge are odd -- be sure to select pre-edge parameters that
+ avoid that bit of data.
+
+ 3. Save the data to a project file. You can ow close Athena.
+
+ 4. Fire up Artemis.
+
+ 5. Import the data from the Athena file that you just saved.
+
+ 6. Import the crystallographic data contained in the file FeS2.inp.
+ Run Atoms. Note that you can set the cluster size independently of
+ Rmax, the length of the longest path to be calculated.
+
+ 7. Verify that the Feff input data is reasonable, then run Feff.
+
+ 8. Select the first 11 paths in the path interpretation by clicking
+ on path #0 then clicking on path #10 while holding the shift key.
+ Drag and drop these paths onto the Data window.
+
+ 9. Use the plot transfer buttons (the little red and blue buttons in
+ the upper left corner of the Data and Path windows to move data
+ and paths into the plotting list. The buttons at the top of the
+ Plot window are used to plot the contents of the plotting window.
+
+ * Put the data and the first path in the plotting list. See how
+ it contributes spectral weight in the region of the first peak.
+
+ * Clear the plotting list and put the data and the next three
+ single scattering paths in the plotting list. Where do those
+ paths contribute spectral weight?
+
+ * Plot the various multiple scattering paths along with the
+ data. Do any of these MS paths seem like they might be
+ important contributions to the fit?
+
+ 10. Click the GDS button to open the parameters window. Create 4
+ guess parameters called "amp", "enot", "delr", and "ss". The
+ initial guess for amp should be 1. ss should be 0.003. The
+ other two can be 0.
+
+ 11. Deploy these four parameters as the path parameter values for the
+ first shell.
+
+ 12. Exclude all paths after the first one from the fit. One way of
+ doing this is to select the first path, choose "mark after
+ current" from the Mark menu, the "exclude marked" from the
+ Actions menu.
+
+ 13. Set the fit range appropriate for a first shell fit. Include
+ only those path or paths which contribute strongly under the
+ first peak. Hit the big green button and examine your first
+ shell fit results. Do the parameters make physical sense?
+
+ 14. Extend the fit range to cover the split peak between 2.3 and 3.9
+ Angstroms. Include each of the first four SS paths in the fit.
+
+ 15. Now you need to set parameters for the paths you just included.
+ It is reasonable to use the same S02 and E0 parameters for each
+ path. Should Delta R be the same for each path? Should sigma^2?
+ Come up with some reasonable parametrization, either by making
+ interesting constraints between the paths or by creating new
+ guess parameters as needed.
+
+ 16. Make a fit using your parametrization. Are the best fit values
+ reasonable? How might you change the parametrization? Is it
+ possible to make constraints between the paths?
+
+ 17. FeS2 is a cubic material (it's space group is Pa3 -- a cubic
+ group). This means we can use the trick of modeling the delta R
+ parameters by an isotropic expansion coefficient. Discard
+ whatever Delta R parameters you might have. Define Delta R for
+ each path to be "alpha*reff". Remember that "reff" always
+ evaluates to the nominal path length as used in Feff when a path
+ parameter math expression is interpreted. Make alpha a guess
+ parameter.
+
+ 18. What other paths contribute significant spectral weight in the
+ region between 2.3 and 3.7 Angstroms? Consider including
+ important MS paths and the fourth shell S atom to the fit. How
+ about paths 13 and 14, which are collinear paths involving the
+ absorber and 1st shell S atoms?
+
+ 19. Can you think of a way to approximate the sigma^2 for the MS paths
+ using math expressions, def parameters, and the sigma^2 parameters
+ that are used to fit the SS paths?
+
+ 20. The 2nd and 3rd shells are both S and are relatively close
+ together in length. Test to see if the data support measuring
+ sigma^2 independently for those two paths by comparing a fit in
+ which they are constrained to be to same to a fit in which the
+ float freely.
+
+ 21. If you look at the atoms information, you will see that this
+ structure is actually defined by two parameters -- the lattice
+ constant and the position of the S atom. The variation in the
+ lattice constant is accommodated in our fit using the isotropic
+ expansion constant alpha. How might you include the possibility
+ of refining the S coordinate in the fit?
diff --git a/docs/_static/March2024/High_resolution_techniques_workshop.pdf b/docs/_static/March2024/High_resolution_techniques_workshop.pdf
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diff --git a/docs/conf.py b/docs/conf.py
index 9f6cadc..ce88465 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -18,11 +18,11 @@
# -- Project information -----------------------------------------------------
project = 'NSLS-II XAS Workshops'
-copyright = '2023, Denis Leshchev, Lu Ma, Bruce Ravel, Eli Stavitski, Akhil Tayal'
-author = 'the NSLS-II Spectroscopy Group'
+copyright = '2023-2024, Denis Leshchev, Lu Ma, Bruce Ravel, Eli Stavitski, Akhil Tayal'
+author = 'the NSLS-II Hard X-Ray Spectroscopy Group'
# The full version, including alpha/beta/rc tags
-release = 'v2023.10'
+release = 'v2024.03'
rst_prolog = open('prolog','r').read()
diff --git a/docs/index.rst b/docs/index.rst
index 672bdfd..9029236 100644
--- a/docs/index.rst
+++ b/docs/index.rst
@@ -34,6 +34,7 @@ wonderful folks in the NSLS-II `User Services Office
:caption: Courses:
October2023.rst
+ March2024.rst
Acknowledgments