structural-wizard/diffraction-worksheet-hedm-example.html at main · CHESSComputing/structural-wizard · GitHub

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<!doctype html>
<html lang="en">
<head>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, initial-scale=1, viewport-fit=cover">
<style>:root{color-scheme:light;padding-top:env(safe-area-inset-top,0px);padding-bottom:env(safe-area-inset-bottom,0px)}body{margin:0;font:14px/1.45 system-ui,sans-serif}img{max-width:100%}[hidden]{display:none!important}</style>
<title>Diffraction Worksheet HEDM Example</title>
<meta name="claude:viewport-fit-sides" content="cover">
<link rel="preconnect" href="https://fonts.googleapis.com">
<link rel="stylesheet" href="https://fonts.googleapis.com/css2?family=Archivo:wdth,wght@75..125,500..800&family=Atkinson+Hyperlegible:wght@400;700&family=IBM+Plex+Mono:wght@400;500&display=swap">
<style>
/* Layout: one narrow column of numbered steps; finished steps collapse to their answer, the open step expands, a sticky strip tracks fit with the chosen technique */
:root{
  --bg:#f3f5f8; --panel:#ffffff; --ink:#18202b; --muted:#5d6878; --line:#d9dfe7; --chip:#f7f9fb;
  --sample:#d9661f; --tech:#7a45c2; --ser3:#2a64c5; --imag:#b8336f;
  --ok:#2f9a5f; --warn:#c98a0b; --block:#b9c0ca; --bad:#c6362f; --off-ink:#9aa3af;
  --f-display:"Archivo",system-ui,sans-serif;
  --f-body:"Atkinson Hyperlegible",system-ui,sans-serif;
  --f-mono:"IBM Plex Mono",ui-monospace,Menlo,monospace;
}
@media (prefers-color-scheme: dark){:root:not([data-theme="light"]){
  --bg:#11151b; --panel:#181d25; --ink:#e7ebf1; --muted:#97a2b2; --line:#2a313c; --chip:#1d232d;
  --sample:#f08a48; --tech:#a985e6; --ser3:#6c9bf0; --imag:#e9709f;
  --ok:#4cc184; --warn:#e7ad35; --block:#3a424f; --bad:#ef6b62; --off-ink:#5e6876; color-scheme:dark}}
:root[data-theme="dark"]{
  --bg:#11151b; --panel:#181d25; --ink:#e7ebf1; --muted:#97a2b2; --line:#2a313c; --chip:#1d232d;
  --sample:#f08a48; --tech:#a985e6; --ser3:#6c9bf0; --imag:#e9709f;
  --ok:#4cc184; --warn:#e7ad35; --block:#3a424f; --bad:#ef6b62; --off-ink:#5e6876; color-scheme:dark}

[hidden]{display:none!important}
body{background:var(--bg);color:var(--ink);font-family:var(--f-body);font-size:15px;line-height:1.45}
body::before{content:"";position:fixed;inset:0 0 auto;height:env(safe-area-inset-top,0px);z-index:10;background:var(--bg)}
.wrap{max-width:780px;margin:0 auto;padding-block:28px 56px;padding-left:max(16px,env(safe-area-inset-left,0px));padding-right:max(16px,env(safe-area-inset-right,0px));display:flex;flex-direction:column;gap:16px}
header{display:flex;flex-wrap:wrap;align-items:end;justify-content:space-between;gap:12px 24px}
h1{font-family:var(--f-display);font-stretch:118%;font-weight:800;font-size:clamp(28px,4.4vw,40px);letter-spacing:-.01em;margin:0;line-height:1;text-wrap:balance}
.sub{margin:6px 0 0;color:var(--muted);max-width:60ch}
.ghost{font:500 13px var(--f-mono);background:none;border:1px solid var(--line);color:var(--ink);padding:8px 12px;border-radius:5px;cursor:pointer}
.ghost:hover{border-color:var(--ink)}
.disclaimer{margin:0;font-size:13.5px;background:color-mix(in srgb,var(--warn) 12%,var(--panel));border:1px solid color-mix(in srgb,var(--warn) 45%,var(--line));border-radius:6px;padding:9px 14px}
.disclaimer b{color:var(--warn)}
.intro-note{margin:0;font-size:14px;color:var(--ink);background:var(--panel);border:1px solid var(--line);border-left:4px solid var(--tech);border-radius:6px;padding:10px 14px}

.fit{position:sticky;top:env(safe-area-inset-top,0px);z-index:5;background:var(--panel);border:1px solid var(--line);border-left:4px solid var(--tech);border-radius:6px;padding:10px 14px;display:flex;flex-direction:column;gap:4px;box-shadow:0 6px 18px -14px rgba(0,0,0,.4)}
.fit .top{display:flex;flex-wrap:wrap;gap:6px 12px;align-items:center}
.fit .tn{font-family:var(--f-display);font-stretch:110%;font-weight:700}
.fit ul{margin:0;padding-left:18px;font-size:13px;color:var(--muted)}
.fit li.b{color:var(--bad)} .fit li.c{color:var(--ink)}

.steps{list-style:none;margin:0;padding:0;display:flex;flex-direction:column;gap:10px}
.step{background:var(--panel);border:1px solid var(--line);border-radius:6px;--hue:var(--sample)}
.step[data-sec="tech"]{--hue:var(--tech)}
.group{display:flex;align-items:baseline;flex-wrap:wrap;gap:4px 12px;padding:14px 2px 2px;border-top:2px solid var(--line);margin-top:6px}
.group h2{margin:0;font-family:var(--f-display);font-stretch:112%;font-weight:800;font-size:19px;line-height:1.2;overflow-wrap:anywhere}
.group .gk{font:500 11.5px var(--f-mono);letter-spacing:.08em;text-transform:uppercase;color:var(--muted)}
.group .gp{font:400 12px var(--f-mono);color:var(--muted);margin-left:auto}
.step.sub{margin-left:18px}
@media (max-width:560px){.step.sub{margin-left:0}}
.fit .mn{font:500 11.5px var(--f-mono);color:var(--muted);text-transform:uppercase;letter-spacing:.06em}
.phblock{border:1px solid var(--line);border-radius:6px;padding:12px;display:flex;flex-direction:column;gap:14px}
.phplain{display:flex;flex-direction:column;gap:14px}
.phhead{display:flex;flex-wrap:wrap;align-items:center;gap:6px 10px}
.phname{font-family:var(--f-display);font-stretch:110%;font-weight:700;font-size:16px}
.phmeta{font:400 12px var(--f-mono);color:var(--muted)}
.phhead .focus{margin-left:auto;font-size:12.5px;padding:4px 9px}
.unit{display:flex;align-items:center;gap:8px;max-width:220px}
.unit span{font:500 13px var(--f-mono);color:var(--muted)}
.geofig{margin:4px 0 0;display:flex;align-items:center;gap:12px;flex-wrap:wrap}
.geofig svg{width:170px;max-width:100%;height:auto;flex:none}
.geofig figcaption{font-size:12.5px;color:var(--muted);flex:1;min-width:160px}
.headline{margin:0;font-size:15.5px;line-height:1.5}
.headline b{font-family:var(--f-mono);font-weight:500;color:var(--tech);white-space:nowrap}
.gfig{margin:0;display:flex;flex-direction:column;gap:6px}
.gfig svg{width:100%;height:auto;display:block}
.gfig figcaption{display:flex;flex-wrap:wrap;gap:4px 14px;font-size:12.5px;color:var(--muted)}
.gfig .key{display:inline-flex;align-items:center;gap:6px}
.gfig .key i{width:14px;height:4px;border-radius:2px;display:inline-block}
.rnotes{font-size:12.5px}
.bgrid{display:grid;grid-template-columns:repeat(2,minmax(0,160px));gap:8px}
.bgrid label{display:flex;flex-direction:column;gap:4px;font-size:12.5px;color:var(--muted)}
.rnote{font-family:var(--f-body);font-size:12px;color:var(--muted)}
.rnote.warn{color:var(--warn)}
.rtag{font:500 10.5px var(--f-mono);text-transform:uppercase;letter-spacing:.05em;padding:1px 6px;border-radius:99px;border:1px solid currentColor;margin-left:4px}
.rtag.ok{color:var(--ok)} .rtag.lo,.rtag.hi{color:var(--warn)}
.rbig{font-family:var(--f-display);font-stretch:110%;font-size:17px;color:var(--ink);margin:6px 0}
.rbig b{font-size:22px;color:var(--tech)}
.subg{list-style:none;display:flex;align-items:center;gap:10px;padding:6px 2px 0 18px;font:500 11.5px var(--f-mono);letter-spacing:.08em;text-transform:uppercase;color:var(--sample);--hue:var(--sample)}
.subg.t{color:var(--tech);--hue:var(--tech);padding-left:36px;margin-top:6px}
.subg .edit{margin-left:auto;text-transform:none;letter-spacing:0}
.step.tstep{margin-left:36px}
.addtech{list-style:none;padding:2px 0 0 36px;--hue:var(--tech)}
@media (max-width:560px){.subg,.subg.t,.addtech{padding-left:0}.step.tstep{margin-left:0}}
.tiles{display:grid;grid-template-columns:repeat(3,minmax(0,1fr));gap:8px}
@media (max-width:620px){.tiles{grid-template-columns:minmax(0,1fr)}}
.tile{background:var(--chip);border:1px solid var(--line);border-radius:6px;padding:10px 12px;display:flex;flex-direction:column;gap:3px;min-width:0}
.tile .k{font-size:12px;color:var(--muted)}
.tile .v{font-family:var(--f-display);font-stretch:110%;font-weight:800;font-size:26px;line-height:1.1;color:var(--tech);font-variant-numeric:tabular-nums}
.tile .v.sm{font-family:var(--f-mono);font-weight:500;font-size:16px;line-height:1.3;overflow-wrap:anywhere}
.tile .s{font-size:12px;color:var(--muted)}
.check{display:flex;align-items:center;gap:8px;font-size:13.5px}
.check input{width:17px;height:17px;accent-color:var(--hue);margin:0}
.latbox{display:flex;flex-direction:column;gap:8px}
.latrow{display:flex;flex-wrap:wrap;align-items:end;gap:8px 12px}
.latrow label{display:flex;flex-direction:column;gap:4px;font-size:12.5px;color:var(--muted);width:110px}
.latn{font-weight:700;min-width:120px;padding-bottom:7px}
.latn small{font:400 12px var(--f-mono);color:var(--muted)}
.dtab{width:100%;border-collapse:collapse;margin:8px 0;font-size:12.5px}
.dtab th,.dtab td{text-align:left;padding:4px 8px 4px 0;border-bottom:1px solid var(--line);vertical-align:top}
.dtab th{color:var(--muted);font-weight:500}
.latrow.wide{align-items:start}
.latrow .dsp{width:auto;flex:1;min-width:220px}
.latrow .dsn{flex-basis:100%;margin:0}
.othmsg{color:var(--ink);font-size:13.5px}
.step[data-sec="img"]{--hue:var(--imag)}
.step[data-sec="img"] .tc:hover{border-color:var(--imag)}
.step[data-sec="img"] .tc[aria-pressed="true"]{border-color:var(--imag);background:color-mix(in srgb,var(--imag) 12%,var(--panel))}
.step[data-sec="img"] .customform{border-left-color:var(--imag)}
.subg.im{color:var(--imag);--hue:var(--imag);padding-left:36px;margin-top:6px}
.addtech{display:flex;flex-wrap:wrap;gap:6px 22px}
.addimg{color:var(--imag)}
.iflags{margin:0;padding-left:18px;font-size:13px;color:var(--ink)}
.iflags li::marker{color:var(--warn)}
.summary h4.im{color:var(--imag)}
.ebreak td:first-child{font-family:var(--f-body);font-weight:700;white-space:nowrap}
.ebreak td{font-family:var(--f-body)}
.ebreak tr.d td:first-child{color:var(--tech)}
.ebreak tr.i td:first-child{color:var(--imag)}
.ebreak tr.all td{border-top:2px solid var(--line)}
.bgrid.g3{grid-template-columns:repeat(3,minmax(0,140px))}
.checks{display:flex;flex-wrap:wrap;gap:8px 20px}
.check.bad{color:var(--bad);font-weight:700}
.check.bad input{accent-color:var(--bad);outline:2px solid var(--bad);outline-offset:1px}
.clash{margin:0;color:var(--bad);font-size:13px;font-weight:700}
.check.off{opacity:.5;cursor:not-allowed}
.flagbox{border:1px solid color-mix(in srgb,var(--warn) 55%,var(--line));background:color-mix(in srgb,var(--warn) 10%,var(--panel));border-radius:6px;padding:8px 12px;font-size:13px}
.flagbox b{color:var(--warn)}
.tc .tflag{display:block;margin-top:6px;color:var(--warn);font-size:12px}
.flagbox ul{margin:4px 0 0;padding-left:18px}
.flagd{color:var(--warn)}
.redbox{border-color:color-mix(in srgb,var(--bad) 60%,var(--line));background:color-mix(in srgb,var(--bad) 9%,var(--panel))}.redbox b{color:var(--bad)}
.redflag{color:var(--bad);font-weight:600}
.redtag{margin-left:10px;color:var(--bad);font-size:12px;font-weight:600;letter-spacing:0;text-transform:none}
.hrow{display:flex;flex-direction:column;gap:6px;padding-left:4px}
.tc.off{opacity:.45;cursor:not-allowed;border-style:dashed}
.tc.off:hover{border-color:var(--line)}
.wonly{color:var(--ink);font-size:13.5px}
.hbtns{display:flex;gap:8px;flex-wrap:wrap}
.exnote{margin:6px 0 0;font:500 12px var(--f-mono);letter-spacing:.06em;text-transform:uppercase;color:var(--tech)}
.echeck{margin-top:8px;padding-top:8px;border-top:1px dashed var(--line);font-family:var(--f-body);font-size:13px;color:var(--ink)}
.echeck.warn b{color:var(--warn)}
.summary h4{margin:4px 0 0;font:500 12px var(--f-mono);letter-spacing:.08em;text-transform:uppercase;color:var(--tech)}
.summary h3{margin:6px 0 0;font-family:var(--f-display);font-stretch:110%;font-weight:700;font-size:16px;border-top:1px solid var(--line);padding-top:10px}
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</head>
<body>
<div class="wrap">
  <header>
    <div>
      <h1>Diffraction Worksheet</h1><p class="exnote">HEDM example, filled in. Edit freely. “Start from blank” clears it; “Reset example” brings the example values back.</p>
      <p class="sub">The diffraction worksheet collects the information needed to prepare for a successful beamtime. It helps guide experimental setup and data collection, allocate resources, and efficiently coordinate measurements across samples and techniques. <b>Please complete it as thoroughly as possible.</b></p>
      <p class="sub">The worksheet supplements, but does not replace, your detailed experimental plan. Your scientific and characterization goals, as well as all experimental timing, sequencing, and priorities, should be communicated in that plan.</p>
    </div>
    <span class="hbtns"><button class="ghost" id="reseed" type="button">Reset example</button><button class="ghost" id="restart" type="button">Start from blank</button></span>
  </header>
  <div class="fit" id="fit" hidden></div>
  <ol class="steps" id="steps"></ol>
  <section class="summary" id="summary" hidden></section>
</div>

<script>
const TECHS=[
  {id:'ff',name:'Far-field HEDM',short:'Grain-resolved orientation and full strain tensor for hundreds to thousands of grains.'},
  {id:'nf',name:'Near-field HEDM',short:'Spatially resolved orientation maps inside and between grains. No strain.'},
  {id:'powder',name:'Angular dispersive (ADXRD)',short:'Also known as powder diffraction. Continuous rings from many grains: phases, lattice strain and texture, averaged.'},
  {id:'edd',name:'Energy dispersive (EDXRD)',short:'White beam, fixed angle: lattice strain point by point in a small gauge volume.'}
];
const TN=Object.fromEntries(TECHS.map(t=>[t.id,t.name]));
const XTAL=['FCC','BCC','HCP','Other','Unknown'];
const DIST=[['equiaxed','Unimodal / equiaxed'],['gradient','Size gradient'],['bimodal','Bimodal']];
const GEOM=[['round','Round bar cross section'],['square','Square cross section'],['plate','Plate'],['custom','Custom']];
// Geometry-based flags wait until the plan has the details they need
const GEOM_FLAGS=false;
const LATT=[['single','Single phase'],['multi','Multiphase']];
const SL={w:{min:100,max:100000},d:{min:1,max:1000},d2:{min:1,max:1000},t:{min:10,max:10000},span:{min:.1,max:3,lin:true},uspan:{min:.1,max:2,lin:true}};
const LV={ok:0,caution:1,blocked:2};
const BW=1000,BH=200;
// Geometry step (BUILD.geom) is held back until sample geometry is designed
const SAMPLE_SUBS=['micro','geom','energy','env'],TECH_SUBS=['tech','beam','scan'];
// Grain-size flags need a sample geometry and beam; off until those steps exist
const GRAIN_FLAGS=false;


const uid=()=>Math.random().toString(36).slice(2,9);
const NEWTECH=()=>({tth:null,tthUnsure:false,ds:{map:null,nx:null,ny:null,nz:null,fly:false,rot:false},id:uid(),tech:null,custom:{name:'',notes:'',closest:null},beam:{mode:'rec',w:2000,h:null,nz:1,ny:1},energy:{line:null,emin:null,emax:null,unsure:false},det:{kind:'large',rmin:5,rmax:8,dmin:null,dmax:null,unsure:false}});
const NEWENV=()=>({mode:null,weight:'',travel:'',dof:'',exNote:'',kind:null,frame:null,heat:false,tmin:null,tmax:null,hot:false,cool:false,special:''});
const NEWPLAN=()=>({env:NEWENV(),mat:{src:null,preset:'',rho:null,base:''},lat:{},micro:{},geom:null,custom2:'',th:null,t:1000,techs:[NEWTECH()],imgs:[]});
/* a technique entry seen together with its sample: what the rules and beam maths read */
const ctx=(P,T)=>({...P,tech:T.tech,custom:T.custom,beam:T.beam,energy:T.energy,det:T.det,ds:T.ds,tth:T.tth,tthUnsure:T.tthUnsure});
const PATHLABEL={square:'Side length (beam path)',round:'Diameter (beam path)',plate:'Thickness (beam path)',dense:'Path length through the region of interest'};
function geomText(P){const t=P.th!=null?P.th+' mm thick':'';
  if(P.geom==='custom')return `Custom: ${esc(P.custom2||'')}${t?', '+t:''}`;
  const g=GEOM.find(x=>x[0]===P.geom);return g?`${g[1]}${t?', '+t:''}`:''}
function geoSVG(g){
  const shape={square:'<rect x="62" y="18" width="44" height="44" rx="2"/>',round:'<circle cx="84" cy="40" r="23"/>',plate:'<rect x="76" y="3" width="16" height="74" rx="2"/>',
    dense:'<path d="M52 22 C60 6 96 4 112 16 C126 26 124 54 110 66 C94 78 62 76 52 62 C44 50 46 32 52 22 Z"/>'}[g]||'';
  return `<svg class="geo" viewBox="0 0 170 80" role="img" aria-label="Top view of the beam passing through the sample"><g fill="var(--chip)" stroke="var(--sample)" stroke-width="2">${shape}</g><line x1="6" y1="40" x2="152" y2="40" stroke="var(--tech)" stroke-width="2.5"/><polygon points="152,34 164,40 152,46" fill="var(--tech)"/><text x="6" y="32" font-size="10" fill="var(--muted)" font-family="IBM Plex Mono,monospace">beam</text></svg>`}
const NEWMICRO=()=>({dist:null,d:50,span:1,uspan:.5,d2:25,tex:null,texNote:'',def:null});
const DEF=[['high','Highly deformed'],['some','Somewhat deformed'],['none','Undeformed lattice']];
const defText=M=>({high:'highly deformed',some:'somewhat deformed',none:'undeformed lattice'})[M.def]||'';
const TEX=[['random','Random or weak'],['strong','Significant texture expected'],['unsure','Not sure']];
const texText=M=>M.tex==='strong'?'significant texture'+(M.texNote?` (${esc(M.texNote)})`:''):M.tex==='random'?'random or weak texture':M.tex==='unsure'?'texture not known':'';
/* phases whose microstructure is described: every phase of a multiphase material, or the material itself */
function phaseList(m){return m.phase==='multi'
  ?m.phases.map((p,i)=>({key:String(i),interest:p.interest,label:p.name||`Phase ${i+1}`,meta:[p.xtal,p.frac!=null?p.frac+'%':''].filter(Boolean).join(' · ')})).filter(p=>p.interest)
  :[{key:'0',label:m.name,meta:m.xtal||''}]}
const inScope=m=>phaseList(m);
const microOf=(P,k)=>(P.micro[k]=P.micro[k]||NEWMICRO());
const distName=M=>M.dist==='gradient'?'Size gradient':M.dist==='bimodal'?`Bimodal (fine ≈ ${um(sizes(M).lo)}, coarse ≈ ${um(sizes(M).hi)})`:'Unimodal';
const NEWPHASE=()=>({name:'',xtal:'',frac:null,interest:false});
const NEWMAT=()=>({id:uid(),name:'',comp:'',phase:null,xtal:'',phases:[NEWPHASE(),NEWPHASE()],plan:NEWPLAN()});
const BLANK=()=>({open:'mat',done:{},materials:[NEWMAT()]});
const KEY='diffWorksheet.hedmExample.v1';
const SEED={"open": null, "materials": [{"id": "ti1", "name": "Titanium", "comp": "Ti-6Al-4V", "phase": "multi", "xtal": "", "phases": [{"name": "", "xtal": "HCP", "frac": 88, "interest": true}, {"name": "", "xtal": "BCC", "frac": 12, "interest": false}], "plan": {"mat": {"src": "preset", "preset": "ti64", "rho": null, "base": ""}, "lat": {"0": {"a": 2.951, "c": 4.686}}, "micro": {"0": {"dist": "gradient", "d": 85.6971411425142, "span": 0.5034501934420116, "uspan": 0.5, "d2": 25, "tex": "random", "texNote": "", "def": "none"}}, "geom": "square", "custom2": "", "th": 1, "t": 1000, "techs": [{"id": "ff1", "tech": "ff", "custom": {"name": "", "notes": "", "closest": null}, "beam": {"mode": "custom", "w": 2000, "h": 500, "nz": 2, "ny": 1}, "energy": {"line": null, "emin": null, "emax": null, "unsure": false}, "det": {"kind": "large", "rmin": 5, "rmax": 8, "dmin": null, "dmax": null, "unsure": false}}, {"id": "nf1", "tech": "nf", "custom": {"name": "", "notes": "", "closest": null}, "beam": {"mode": "custom", "w": 2000, "h": 250, "nz": 4, "ny": 1}, "energy": {"line": null, "emin": null, "emax": null, "unsure": false}, "det": {"kind": "large", "rmin": 5, "rmax": 8, "dmin": null, "dmax": null, "unsure": false}}], "imgs": [{"id": "img1", "mod": "abst", "custom": {"name": "", "notes": ""}, "target": "pores", "f": 3.0}], "env": {"mode": "in", "weight": "", "travel": "", "dof": "", "exNote": "", "kind": "mech", "frame": "RAMSII+RAMSIV", "heat": true, "tmin": 0, "tmax": 600, "hot": false, "cool": false, "special": ""}}}], "done": {"mat": true, "ti1:micro": true, "ti1:geom": true, "ti1:energy": true, "ti1:ff1:tech": true, "ti1:ff1:det": true, "ti1:ff1:beam": true, "ti1:ff1:scan": true, "ti1:nf1:tech": true, "ti1:nf1:beam": true, "ti1:nf1:scan": true, "ti1:img1:imod": true, "ti1:img1:ires": true, "ti1:env": true}};
let W=load()||JSON.parse(JSON.stringify(SEED));
function load(){try{const s=localStorage.getItem(KEY);if(!s)return null;const o=JSON.parse(s);
  o.materials=(o.materials||[]).map(m=>{const plan={...NEWPLAN(),...(m.plan||{})};
    if(Array.isArray(plan.techs))plan.techs=plan.techs.map(T=>{const N=NEWTECH();const det={...N.det,...(T.det||{})};if(!det.kind)det.kind='large';if(!(det.rmin>0)){det.rmin=5;det.rmax=8}return {...N,...T,id:T.id,det}});
    if(plan.pE==null&&plan.hedmE!=null)plan.pE=plan.hedmE;
    if(o.done)(plan.techs||[]).forEach(T=>{const k=`${m.id}:${T.id}:energy`;if(o.done[k]){o.done[`${m.id}:energy`]=true;delete o.done[k]}if(o.open===k)o.open=`${m.id}:energy`});
    if(!plan.micro){plan.micro={};if(m.plan&&m.plan.dist)plan.micro['0']={dist:m.plan.dist,d:m.plan.d,span:m.plan.span,uspan:m.plan.uspan??.5,d2:m.plan.d2}}
    const phases=(m.phases||[]).map((p,i)=>({...NEWPHASE(),...p,interest:p.interest??(plan.focus===String(i))}));
    if(!Array.isArray(m.plan&&m.plan.techs)){            // older saves: one technique stored on the plan itself
      const T=NEWTECH();const op=m.plan||{};
      if(op.tech!==undefined){T.tech=op.tech;T.custom=op.custom||T.custom;T.beam={...T.beam,...(op.beam||{})}}
      plan.techs=[T];delete plan.tech;delete plan.custom;delete plan.beam;
      o.done=o.done||{};
      ['tech','beam','scan'].forEach(sub=>{const ok=`${m.id}:${sub}`,nk=`${m.id}:${T.id}:${sub}`;if(o.done[ok]){o.done[nk]=true;delete o.done[ok]}if(o.open===ok)o.open=nk});
    }
    return {...NEWMAT(),...m,phases:phases.length?phases:[NEWPHASE(),NEWPHASE()],plan}});return o.materials.length?{...BLANK(),...o}:null}catch(e){return null}}
function save(){try{localStorage.setItem(KEY,JSON.stringify(W))}catch(e){}}

/* ---------- helpers ---------- */
const $=q=>document.querySelector(q);
const esc=t=>String(t??'').replace(/[&<>"]/g,c=>({'&':'&amp;','<':'&lt;','>':'&gt;','"':'&quot;'}[c]));
function um(v){return v>=1000?(v/1000).toPrecision(v>=10000?3:2).replace(/\.0+$/,'')+' mm':(v<10?v.toFixed(1):Math.round(v))+' µm'}
function sci(n){if(n<1000)return n<10?n.toFixed(1):Math.round(n).toString();const e=Math.floor(Math.log10(n));return (n/10**e).toFixed(1)+'×10'+String(e).split('').map(c=>'⁰¹²³⁴⁵⁶⁷⁸⁹'[c]).join('')}
const toPos=(k,v)=>{const s=SL[k];return s.lin?Math.round(1000*(v-s.min)/(s.max-s.min)):Math.round(1000*Math.log(v/s.min)/Math.log(s.max/s.min))};
const fromPos=(k,p)=>{const s=SL[k];return s.lin?s.min+(s.max-s.min)*p/1000:s.min*Math.pow(s.max/s.min,p/1000)};
const named=()=>W.materials.filter(m=>m.name.trim());
const matById=id=>W.materials.find(m=>m.id===id);

/* ---------- sample physics (same assumptions as the wizard) ---------- */
function sizes(s){if(s.dist==='gradient'){const h=10**(s.span/2);return {lo:s.d/h,hi:s.d*h}}if(s.dist==='bimodal')return {lo:Math.min(s.d,s.d2),hi:Math.max(s.d,s.d2)};return {lo:s.d,hi:s.d}}
const isUni=s=>s.dist!=='gradient'&&s.dist!=='bimodal';
/* reported average and range of grain size */
function stats(P){
  if(P.dist==='gradient'){const z=sizes(P);return {avg:(z.hi-z.lo)/Math.log(z.hi/z.lo),lo:z.lo,hi:z.hi,note:'average across the gradient'}}
  if(P.dist==='bimodal'){const z=sizes(P);return {avg:(z.lo+z.hi)/2,lo:z.lo,hi:z.hi,note:'average assumes equal volume of each population'}}
  return {avg:P.d,lo:null,hi:null,note:''};
}
const statLine=P=>{const s=stats(P);return s.lo==null?`average ≈ ${um(s.avg)}`:`average ≈ ${um(s.avg)}, range ≈ ${um(s.lo)} – ${um(s.hi)}`};
const popWord=s=>s.dist==='gradient'?'end of the gradient':'population';
function invD3(s){const z=sizes(s);if(s.dist==='gradient')return (z.lo**-3-z.hi**-3)/(3*Math.log(z.hi/z.lo));if(s.dist==='bimodal')return .5/z.lo**3+.5/z.hi**3;return 1/s.d**3}
function coarseCount(s,V){const z=sizes(s);if(s.dist==='gradient')return V*(s.d**-3-z.hi**-3)/(3*Math.log(z.hi/z.lo));if(s.dist==='bimodal')return V*.5/z.hi**3;return V/s.d**3}
const litW=s=>s.geom==='plate'?BW:Math.min(BW,s.t);
const diffVol=s=>litW(s)*BH*s.t;
const gaugeLen=s=>Math.min(s.t,litW(s)/Math.sin(6*Math.PI/180));
const gaugeVol=s=>litW(s)*BH*gaugeLen(s);
function vol(v){const mm=v/1e9;return mm>=1e-3?(+mm.toPrecision(2))+' mm³':sci(v)+' µm³'}

/* ---------- beam size: grains per beam volume from the worksheet ---------- */
const LIM={ff:{lo:500,hi:5000,sug:1000},nf:{lo:500,hi:2000,sug:1000,maxH:300},powder:{lo:10000,hi:Infinity}};   // EDXRD: no grain target; the gauge volume is reported instead
const DEFAULT_W=2000;
const fmtN=n=>{if(!isFinite(n))return '—';if(n<10)return (+n.toFixed(1)).toString();const e=10**(Math.floor(Math.log10(n))-1);return (Math.round(n/e)*e).toLocaleString('en-US')};
function scanSummary(m,P){const c=beamChoice(m,P);if(!(c.w>0&&c.h>0)||!(P.th>0))return null;
  const mc=beamModel(m,P,c.w),ny=nyEff(P),n=P.beam.nz*ny,B=P.beam;
  const per=mc.ph.map(x=>({label:x.label,N:x.perH*c.h*n}));const tot=per.reduce((a,x)=>a+x.N,0);
  return {n,ny,mc,c,per,vol:`${um(ny*mc.wl)} × ${um(B.nz*c.h)} × ${um(mc.t)}`,grains:fmtN(tot)}}
const showWide=P=>P.beam.mode==='custom'&&P.beam.w>0&&P.beam.w<sampleWidth(P);
const nyEff=P=>showWide(P)?P.beam.ny:1;
function sampleWidth(P){const t=(P.th||0)*1000;return P.geom==='round'||P.geom==='square'?t:Infinity}
function beamPhases(m,P){
  return inScope(m).map(p=>{const M=microOf(P,p.key);
    const fr=m.phase==='multi'?m.phases[+p.key]?.frac:null;
    const f=m.phase==='multi'&&fr>0?fr/100:1;
    return {label:m.phase==='multi'?p.label:m.name,n:f*invD3(M),fKnown:m.phase!=='multi'||fr>0}})}
function beamModel(m,P,w){
  const id=effTech(P),t=(P.th||0)*1000,wl=Math.min(w,sampleWidth(P));
  const tth=(P.tth>0?P.tth:7)*Math.PI/180;   // unknown take-off angle: assume the middle of 5–9°
  const L=id==='edd'?Math.min(t,wl/Math.sin(tth)):t;   // EDXRD gauge length along the beam for the chosen take-off angle
  const ph=beamPhases(m,P).map(x=>({...x,perH:wl*L*x.n}));   // grains per µm of beam height
  const lim=LIM[id]||null;
  let lo=null,hi=null,mid=null;
  if(lim&&ph.length){lo=Math.max(...ph.map(x=>lim.lo/x.perH));hi=isFinite(lim.hi)?Math.min(...ph.map(x=>lim.hi/x.perH)):Infinity;
    // middle of the grain target (e.g. 2,750 for 500–5,000), set by the most numerous phase, kept inside the shared range when one exists
    if(isFinite(lim.hi)){const nMid=lim.sug??(lim.lo+lim.hi)/2;mid=Math.min(...ph.map(x=>nMid/x.perH));if(lo<=hi)mid=Math.min(Math.max(mid,lo),hi)}
    if(lim.maxH){hi=Math.min(hi,lim.maxH);if(mid)mid=Math.min(mid,lim.maxH)}}       // hardware limit on beam height (near-field beamstop)
  return {id,t,wl,L,ph,lim,lo,hi,mid,maxH:lim&&lim.maxH||null};
}
/* EDXRD gauge lengths along the beam for incident width w (receiving slit taken as the same width):
   FWHM ≈ w / sin 2θ ; tip-to-tip = w (1 + cos 2θ) / sin 2θ = w / tan θ ; both capped at the sample thickness */
function gaugeLens(w,tthDeg,t){const a=tthDeg*Math.PI/180,f=w/Math.sin(a),tt=w*(1+Math.cos(a))/Math.sin(a);
  return {fwhm:Math.min(f,t||Infinity),tip:Math.min(tt,t||Infinity),fCap:t&&f>t,tCap:t&&tt>t}}
const dvol=(mc,h)=>`${um(mc.wl)} × ${um(h)} × ${um(mc.L)}`;   // width on sample × height × thickness (EDD: gauge length)
const beamTitle=T=>isHedm(T)?'Beam size per rotation series':'Beam size';
const defFor=(sub,T)=>sub==='beam'?{...SUB.beam,title:beamTitle(T)}:SUB[sub];
const flyT=D=>D.flyT??(D.flyMode==='trans'||(!D.flyMode&&!!D.fly));
const flyClash=D=>flyT(D)&&!!D.rot;               // a rotation series is always fly-scanned, so it cannot be combined with a flown translation
const avgClash=D=>!!D.avg&&!!D.rot;               // ...nor with fly-scanning over a unit of interrogation
const flyLock=D=>(flyT(D)||!!D.avg)&&!D.rot;
const dsPoints=D=>D.map==='point'?1:D.map==='map1'?(D.nx>0?D.nx:0):D.map==='map2'?(D.nx>0&&D.ny>0?D.nx*D.ny:0):D.map==='map3'?(D.nx>0&&D.ny>0&&D.nz>0?D.nx*D.ny*D.nz:0):0;
const dsGrid=D=>D.map==='map3'?`${D.nx} × ${D.ny} × ${D.nz}`:D.map==='map2'?`${D.nx} × ${D.ny}`:`${D.nx} along the line`;
const avgOk=D=>!D.avg||(D.ax>0&&D.ay>0&&D.az>0);
function avgGrains(m,P,D){const ph=beamPhases(m,P),v=D.ax*D.ay*D.az*1e9;return ph.map(x=>({label:x.label,N:x.n*v}))}
const nice=v=>{if(!isFinite(v)||v<=0)return v;const e=10**Math.floor(Math.log10(v));return Math.round(v/e*10)/10*e};
const niceDn=v=>{if(!isFinite(v)||v<=0)return v;const e=10**(Math.floor(Math.log10(v))-1);return Math.floor(v/e)*e};
const niceUp=v=>{if(!isFinite(v)||v<=0)return v;const e=10**(Math.floor(Math.log10(v))-1);return Math.ceil(v/e)*e};
function beamChoice(m,P){const B=P.beam;
  if(B.mode==='custom')return {w:B.w,h:B.h};
  const md=beamModel(m,P,DEFAULT_W);let h=md.mid?nice(md.mid):md.lo?niceUp(md.lo):null;if(h&&md.maxH)h=Math.min(h,md.maxH);return {w:DEFAULT_W,h}}

/* EDXRD gauge volume, top-down schematic (not to scale): incident and diffracted beams cross in a parallelogram */
function drawGauge(fig,mc,c,P){
  const sv=fig.querySelector('svg');sv.setAttribute('viewBox','0 0 460 250');
  const W=460,cx=230,cy=118,bw=34,ang=24*Math.PI/180;          // drawn angle exaggerated for clarity
  const mono='font-family="IBM Plex Mono,monospace" font-size="10.5"';
  const hw=bw/2,Lh=hw/Math.tan(ang/2)*0.0+hw/Math.sin(ang);     // half-length of the parallelogram along the beam
  // parallelogram: intersection of horizontal band |y|<=hw and tilted band |(-sin a)x+(cos a)y|<=hw
  const sa=Math.sin(ang),ca=Math.cos(ang);
  const pt=(y,u)=>{const x=(y*ca-u)/sa;return [cx+x,cy-y]};   // solve -sa*x+ca*y=u
  const P1=pt(hw,hw),P2=pt(hw,-hw),P3=pt(-hw,-hw),P4=pt(-hw,hw);
  const poly=[P1,P2,P3,P4].map(p=>p.map(v=>v.toFixed(1)).join(',')).join(' ');
  const t=(P.th||0)*1000,capped=mc.L<c.w/Math.sin((P.tth>0?P.tth:7)*Math.PI/180)-1;
  let g='';
  // sample faces (dashed) when the gauge is capped by the thickness
  g+=`<rect x="${cx-150}" y="30" width="300" height="176" rx="6" fill="none" stroke="var(--sample)" stroke-dasharray="5 4"/><text x="${cx-144}" y="44" fill="var(--sample)" ${mono}>sample (top view)</text>`;
  // incident beam band
  g+=`<rect x="10" y="${cy-hw}" width="${W-20}" height="${bw}" style="fill:color-mix(in srgb,var(--tech) 14%,transparent)"/><line x1="10" x2="${W-14}" y1="${cy}" y2="${cy}" stroke="var(--tech)" stroke-width="1.5"/><polygon points="${W-14},${cy-5} ${W-4},${cy} ${W-14},${cy+5}" fill="var(--tech)"/>`;
  g+=`<text x="14" y="${cy-hw-6}" fill="var(--tech)" ${mono}>incident beam</text>`;
  // diffracted beam band at 2θ
  const dx=Math.cos(ang),dy=-Math.sin(ang),ex=cx+dx*230,ey=cy+dy*230,nx=-dy*hw,ny=dx*hw;
  g+=`<polygon points="${(cx-dx*40+nx).toFixed(1)},${(cy-dy*40+ny).toFixed(1)} ${(ex+nx).toFixed(1)},${(ey+ny).toFixed(1)} ${(ex-nx).toFixed(1)},${(ey-ny).toFixed(1)} ${(cx-dx*40-nx).toFixed(1)},${(cy-dy*40-ny).toFixed(1)}" style="fill:color-mix(in srgb,var(--ok) 14%,transparent)"/>`;
  g+=`<line x1="${cx}" y1="${cy}" x2="${(cx+dx*215).toFixed(1)}" y2="${(cy+dy*215).toFixed(1)}" stroke="var(--ok)" stroke-width="1.5"/><text x="${(cx+dx*150).toFixed(1)}" y="${(cy+dy*150-12).toFixed(1)}" fill="var(--ok)" ${mono}>to detector</text>`;
  g+=`<path d="M${cx+60} ${cy} A60 60 0 0 0 ${(cx+60*dx).toFixed(1)} ${(cy+60*dy).toFixed(1)}" fill="none" stroke="var(--ink)"/><text x="${cx+70}" y="${cy-30}" fill="var(--ink)" ${mono}>2θ = ${P.tth>0?P.tth+'°':'7° (assumed)'}</text>`;
  // gauge parallelogram
  g+=`<polygon points="${poly}" fill="var(--warn)" fill-opacity=".55" stroke="var(--warn)" stroke-width="2"/>`;
  // dimension labels
  const GL=gaugeLens(mc.wl,P.tth>0?P.tth:7,(P.th||0)*1000);
  const dim=(x1,x2,y,label,col)=>`<line x1="${x1.toFixed(1)}" x2="${x2.toFixed(1)}" y1="${y}" y2="${y}" stroke="${col}"/><line x1="${x1.toFixed(1)}" x2="${x1.toFixed(1)}" y1="${y-4}" y2="${y+4}" stroke="${col}"/><line x1="${x2.toFixed(1)}" x2="${x2.toFixed(1)}" y1="${y-4}" y2="${y+4}" stroke="${col}"/><text x="${cx}" y="${y+13}" text-anchor="middle" fill="${col}" ${mono}>${label}</text>`;
  const fx=hw/sa,tx=hw*(1+ca)/sa;                       // half-lengths in the drawing
  g+=dim(cx-fx,cx+fx,cy+hw+12,`FWHM ≈ ${um(GL.fwhm)}${GL.fCap?' (capped at thickness)':''}`,'var(--ink)');
  g+=dim(cx-tx,cx+tx,cy+hw+40,`tip to tip ≈ ${um(GL.tip)}${GL.tCap?' (capped at thickness)':''}`,'var(--muted)');
  g+=`<line x1="22" x2="22" y1="${cy-hw}" y2="${cy+hw}" stroke="var(--ink)" stroke-width="1.5"/><text x="14" y="${cy+hw+14}" fill="var(--ink)" ${mono}>width ${um(mc.wl)}</text>`;
  g+=`<text x="${cx}" y="236" text-anchor="middle" fill="var(--muted)" ${mono}>height ${um(c.h)} into the page · not to scale (angle exaggerated)</text>`;
  sv.innerHTML=g;
  fig.querySelector('figcaption').innerHTML='Gauge volume (orange): where the incident beam and the diffracted beam seen by the detector overlap. Seen from above it is a parallelogram; with the beam height it is a parallelepiped.';
}
function drawGrains(fig,mc,c){
  const sv=fig.querySelector('svg'),W=460,H=230,L=56,R=16,T=12,B=40,cols=['var(--tech)','var(--sample)','var(--ser3)','var(--muted)'];
  const lg=Math.log10,lim=mc.lim;
  const marks=[c.h,mc.hi,mc.lo].filter(v=>v>0&&isFinite(v));
  const x0=0,x1=Math.min(5,Math.max(3.7,Math.ceil(lg(Math.max(...marks,1))+0.6)));          // 1 µm .. up to 100 mm
  const ys=mc.ph.flatMap(p=>[p.perH*10**x0,p.perH*10**x1]).filter(v=>v>0);
  if(lim){ys.push(lim.lo);if(isFinite(lim.hi))ys.push(lim.hi)}
  if(!ys.length){sv.innerHTML='';return}
  let y0=Math.floor(lg(Math.max(Math.min(...ys),0.1))),y1=Math.ceil(lg(Math.max(...ys)));
  y0=Math.max(y0,y1-8);if(y1-y0<3)y0=y1-3;
  const X=v=>L+(W-L-R)*(lg(v)-x0)/(x1-x0),Y=v=>T+(H-T-B)*(1-(Math.min(Math.max(lg(v),y0),y1)-y0)/(y1-y0));
  const mono='font-family="IBM Plex Mono,monospace" font-size="10.5"';
  let g='';
  for(let e=y0;e<=y1;e++)g+=`<line x1="${L}" x2="${W-R}" y1="${Y(10**e)}" y2="${Y(10**e)}" stroke="var(--line)"/><text x="${L-6}" y="${Y(10**e)+3.5}" text-anchor="end" fill="var(--muted)" ${mono}>${e>=6?(10**(e-6)).toLocaleString('en-US')+'M':(10**e).toLocaleString('en-US')}</text>`;
  for(let e=x0;e<=x1;e++)g+=`<line x1="${X(10**e)}" x2="${X(10**e)}" y1="${H-B}" y2="${H-B+4}" stroke="var(--muted)"/><text x="${X(10**e)}" y="${H-B+16}" text-anchor="middle" fill="var(--muted)" ${mono}>${e<3?10**e+' µm':10**(e-3)+' mm'}</text>`;
  g+=`<text x="${(L+W-R)/2}" y="${H-6}" text-anchor="middle" fill="var(--muted)" font-size="11.5">Beam height at ${um(mc.wl)} on the sample</text>`;
  g+=`<text x="12" y="${(T+H-B)/2}" text-anchor="middle" fill="var(--muted)" font-size="11.5" transform="rotate(-90 12 ${(T+H-B)/2})">Grains in beam</text>`;
  if(lim){const top=isFinite(lim.hi)?Y(lim.hi):T;g+=`<rect x="${L}" y="${top}" width="${W-L-R}" height="${Y(lim.lo)-top}" style="fill:color-mix(in srgb,var(--ok) 13%,transparent)"/><text x="${L+6}" y="${top+13}" text-anchor="start" fill="var(--ok)" ${mono}>target ${fmtN(lim.lo)}${isFinite(lim.hi)?'–'+fmtN(lim.hi):'+'} grains</text>`}
  mc.ph.forEach((p,i)=>{const a=10**x0,b=10**x1,col=cols[i%cols.length];
    g+=`<line x1="${X(a)}" y1="${Y(p.perH*a)}" x2="${X(b)}" y2="${Y(p.perH*b)}" stroke="${col}" stroke-width="2.5"/>`;
    if(c.h>0)g+=`<circle cx="${X(c.h)}" cy="${Y(p.perH*c.h)}" r="5" fill="${col}" stroke="var(--panel)" stroke-width="2"/>`});
  if(mc.maxH)g+=`<rect x="${X(mc.maxH)}" y="${T}" width="${W-R-X(mc.maxH)}" height="${H-B-T}" style="fill:color-mix(in srgb,var(--bad) 8%,transparent)"/><line x1="${X(mc.maxH)}" x2="${X(mc.maxH)}" y1="${T}" y2="${H-B}" stroke="var(--bad)" stroke-width="1.5"/><text x="${X(mc.maxH)+5}" y="${H-B-6}" fill="var(--bad)" ${mono}>beamstop limit ${mc.maxH} µm</text>`;
  if(c.h>0)g+=`<line x1="${X(c.h)}" x2="${X(c.h)}" y1="${T}" y2="${H-B}" stroke="var(--ink)" stroke-dasharray="3 3"/><text x="${X(c.h)+5}" y="${T+11}" fill="var(--ink)" ${mono}>your beam ${um(c.h)}</text>`;
  sv.innerHTML=g;
  fig.querySelector('figcaption').innerHTML=mc.ph.map((p,i)=>`<span class="key"><i style="background:${cols[i%cols.length]}"></i>${esc(p.label)}</span>`).join('')+(lim?'<span class="key"><i style="background:color-mix(in srgb,var(--ok) 35%,transparent)"></i>target range</span>':'');
}

const MU_E0=15,MU_DE=1;// keV grid 15–200, mass attenuation coefficients mu/rho (cm²/g), Elam/xraydb (NIST-consistent)
const 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.44,28.16,26.06,24.15,22.41,20.84,19.43,18.15,17.01,15.96,15.01,14.14,13.34,12.6,11.92,11.29,10.7,10.15,9.641,9.163,8.716,8.297,7.906,7.538,7.194,6.87,6.566,6.28,6.011,5.758,5.519,5.293,5.08,4.878,4.687,4.507,4.335,4.173,4.019,3.873,3.734,3.602,3.476,3.356,3.242,3.133,3.029,2.93,2.836,2.745,2.659,2.577,2.497,2.422,2.349,2.28,2.213,2.149,2.088,2.029,1.973,1.919,1.866,1.816,1.768,1.722,1.677,1.634,1.592,1.552,1.514,1.477,1.441,1.406,1.373,1.341,1.309,1.279,1.25,1.222,1.195,1.169,1.143,1.119,1.095,1.072,1.049,1.027,1.006,0.986,0.9662,0.9471,0.9284,0.9104,0.8929,0.8758,0.8593,0.8433,0.8277,0.8125,0.7978,0.7834,0.7695,0.756,0.7428,0.73,0.7175,0.7053,0.6935,0.682,0.6708,0.6598,0.6492,0.6388,0.6287,0.6189,0.6092,0.5999,0.5907,0.5818,0.5731,0.5646,0.5563,0.5482,0.5403,0.5326,0.5251,0.5177,0.5105,0.5035,0.4966,0.4899,0.4834,0.4769,0.4707,0.4645,0.4585,0.4527,0.4469,0.4413,0.4358,0.4304,0.4252,0.42,0.415,0.41,0.4052,0.4004,0.3958,0.3912,0.3868,0.3824,0.3781,0.3739,0.3698,0.3657,0.3618,0.3579,0.3541,0.3503,0.3467,0.3431,0.3396,0.3361,0.3327,0.3294,0.3261],"Hf":[129.0,108.9,92.97,80.09,69.57,60.87,53.51,47.33,42.1,37.64,33.82,30.51,27.64,25.13,22.93,20.98,19.24,17.69,16.3,15.07,13.96,12.96,12.06,11.24,10.5,9.826,9.207,8.641,8.123,7.647,7.21,6.807,6.436,6.092,5.774,5.479,5.203,4.947,4.708,4.485,4.277,4.083,3.901,3.73,3.57,3.42,3.278,3.145,3.019,2.901,2.789,12.05,11.59,11.16,10.75,10.36,9.986,9.633,9.298,8.978,8.674,8.384,8.108,7.844,7.592,7.351,7.121,6.9,6.689,6.487,6.294,6.108,5.93,5.76,5.595,5.438,5.286,5.141,5.0,4.865,4.735,4.61,4.489,4.373,4.261,4.152,4.048,3.947,3.85,3.755,3.664,3.576,3.491,3.409,3.329,3.252,3.177,3.105,3.035,2.967,2.902,2.838,2.776,2.716,2.658,2.602,2.547,2.494,2.443,2.393,2.344,2.297,2.251,2.206,2.163,2.121,2.08,2.04,2.001,1.964,1.927,1.891,1.856,1.822,1.789,1.757,1.726,1.695,1.666,1.637,1.608,1.581,1.554,1.528,1.502,1.477,1.453,1.429,1.406,1.383,1.361,1.339,1.318,1.298,1.278,1.258,1.239,1.22,1.201,1.183,1.166,1.149,1.132,1.115,1.099,1.083,1.068,1.053,1.038,1.024,1.01,0.9957,0.9821,0.9688,0.9557,0.9429,0.9304,0.9182,0.9061,0.8944,0.8828,0.8715,0.8604,0.8495,0.8388,0.8283,0.8181,0.808,0.7981,0.7884,0.7789,0.7695,0.7604,0.7514,0.7425,0.7338],"Ta":[134.0,113.2,96.68,83.31,72.37,63.34,55.7,49.28,43.84,39.21,35.23,31.79,28.8,26.19,23.9,21.88,20.06,18.44,17.0,15.71,14.56,13.52,12.58,11.73,10.96,10.25,9.608,9.018,8.477,7.981,7.525,7.105,6.717,6.358,6.026,5.718,5.43,5.163,4.914,4.681,4.464,4.261,4.071,3.893,3.726,3.569,3.421,3.281,3.15,3.026,2.909,2.799,2.694,11.54,11.11,10.7,10.32,9.951,9.602,9.271,8.956,8.655,8.369,8.096,7.836,7.588,7.35,7.123,6.906,6.699,6.5,6.309,6.126,5.951,5.783,5.621,5.465,5.316,5.172,5.033,4.9,4.771,4.647,4.527,4.412,4.3,4.193,4.089,3.988,3.891,3.797,3.706,3.618,3.533,3.451,3.371,3.294,3.219,3.147,3.076,3.008,2.942,2.878,2.816,2.756,2.698,2.641,2.586,2.533,2.481,2.43,2.381,2.334,2.288,2.243,2.199,2.156,2.115,2.075,2.036,1.997,1.96,1.924,1.889,1.855,1.821,1.789,1.757,1.726,1.696,1.667,1.638,1.61,1.583,1.557,1.531,1.506,1.481,1.457,1.433,1.41,1.388,1.366,1.345,1.324,1.303,1.283,1.264,1.245,1.226,1.208,1.19,1.173,1.156,1.139,1.123,1.107,1.091,1.076,1.061,1.046,1.032,1.017,1.004,0.9901,0.9769,0.9639,0.9512,0.9387,0.9265,0.9145,0.9027,0.8912,0.8799,0.8689,0.858,0.8473,0.8369,0.8266,0.8166,0.8067,0.797,0.7875,0.7781,0.769,0.76],"W":[138.9,117.4,100.2,86.4,75.08,65.72,57.8,51.15,45.51,40.71,36.58,33.01,29.91,27.21,24.83,22.73,20.84,19.17,17.67,16.34,15.14,14.06,13.08,12.2,11.4,10.67,9.996,9.383,8.82,8.304,7.83,7.393,6.989,6.616,6.271,5.95,5.651,5.372,5.113,4.871,4.645,4.433,4.236,4.05,3.876,3.713,3.558,3.413,3.276,3.147,3.025,2.91,2.802,2.698,2.601,11.04,10.63,10.25,9.893,9.55,9.223,8.912,8.616,8.334,8.065,7.809,7.565,7.331,7.108,6.895,6.691,6.495,6.308,6.128,5.956,5.79,5.631,5.477,5.33,5.188,5.051,4.919,4.792,4.669,4.551,4.437,4.326,4.219,4.116,4.016,3.92,3.826,3.736,3.648,3.563,3.481,3.402,3.325,3.25,3.178,3.107,3.039,2.973,2.909,2.847,2.787,2.728,2.672,2.616,2.563,2.511,2.46,2.411,2.363,2.317,2.272,2.228,2.185,2.143,2.103,2.064,2.025,1.988,1.952,1.916,1.882,1.848,1.815,1.783,1.752,1.722,1.692,1.664,1.635,1.608,1.581,1.555,1.53,1.505,1.48,1.457,1.434,1.411,1.389,1.367,1.346,1.326,1.305,1.286,1.266,1.248,1.229,1.211,1.193,1.176,1.159,1.143,1.127,1.111,1.095,1.08,1.065,1.051,1.036,1.022,1.009,0.9954,0.9822,0.9693,0.9567,0.9443,0.9322,0.9203,0.9086,0.8971,0.8859,0.8749,0.8641,0.8535,0.8431,0.8328,0.8228,0.813,0.8033,0.7938,0.7845],"Re":[144.0,121.8,104.1,89.76,78.04,68.35,60.13,53.22,47.36,42.37,38.08,34.37,31.15,28.33,25.86,23.68,21.72,19.97,18.42,17.03,15.78,14.65,13.64,12.72,11.88,11.12,10.42,9.785,9.199,8.661,8.167,7.711,7.29,6.901,6.541,6.207,5.894,5.603,5.333,5.08,4.844,4.624,4.417,4.224,4.042,3.872,3.711,3.559,3.416,3.282,3.155,3.035,2.921,2.813,2.712,2.615,2.523,10.61,10.23,9.875,9.536,9.214,8.907,8.614,8.336,8.07,7.817,7.575,7.345,7.124,6.913,6.711,6.517,6.331,6.153,5.982,5.818,5.659,5.507,5.361,5.22,5.084,4.952,4.826,4.704,4.586,4.472,4.361,4.255,4.152,4.052,3.956,3.862,3.772,3.684,3.6,3.518,3.438,3.361,3.286,3.214,3.144,3.076,3.01,2.945,2.883,2.823,2.764,2.707,2.652,2.598,2.546,2.495,2.446,2.398,2.351,2.306,2.261,2.218,2.177,2.136,2.096,2.058,2.02,1.984,1.948,1.913,1.879,1.846,1.814,1.783,1.752,1.722,1.693,1.665,1.637,1.61,1.584,1.558,1.533,1.508,1.484,1.461,1.438,1.416,1.394,1.373,1.352,1.331,1.311,1.292,1.273,1.254,1.236,1.218,1.2,1.183,1.167,1.15,1.134,1.118,1.103,1.088,1.073,1.059,1.044,1.031,1.017,1.004,0.9905,0.9776,0.9651,0.9527,0.9406,0.9287,0.9171,0.9057,0.8945,0.8835,0.8727,0.8621,0.8517,0.8415,0.8315,0.8216,0.812]};
/* common engineering alloys: nominal composition (wt%, balance on the first element) and density (g/cm³) */
const ALLOYS=[
  {id:'al6061',name:'Al 6061',rho:2.70,comp:{Al:0,Mg:1.0,Si:0.6,Cu:0.28,Cr:0.2}},
  {id:'al7075',name:'Al 7075',rho:2.81,comp:{Al:0,Zn:5.6,Mg:2.5,Cu:1.6,Cr:0.23}},
  {id:'al',name:'Aluminium (pure)',rho:2.70,comp:{Al:0}},
  {id:'az31',name:'Mg AZ31',rho:1.77,comp:{Mg:0,Al:3,Zn:1}},
  {id:'cpti',name:'CP titanium',rho:4.51,comp:{Ti:0}},
  {id:'ti64',name:'Ti-6Al-4V',rho:4.43,comp:{Ti:0,Al:6,V:4}},
  {id:'fe',name:'Iron (pure)',rho:7.87,comp:{Fe:0}},
  {id:'steel4140',name:'Low-alloy steel (4140)',rho:7.85,comp:{Fe:0,Cr:1.0,Mn:0.9,Mo:0.2,C:0.4}},
  {id:'ss304',name:'Stainless 304',rho:8.00,comp:{Fe:0,Cr:18.5,Ni:9,Mn:2,Si:0.75}},
  {id:'ss316',name:'Stainless 316L',rho:8.00,comp:{Fe:0,Cr:17,Ni:12,Mo:2.5,Mn:2}},
  {id:'ni',name:'Nickel (pure)',rho:8.91,comp:{Ni:0}},
  {id:'in625',name:'Inconel 625',rho:8.44,comp:{Ni:0,Cr:21.5,Mo:9,Nb:3.6,Fe:2.5}},
  {id:'in718',name:'Inconel 718',rho:8.19,comp:{Ni:0,Cr:19,Fe:18.5,Nb:5.1,Mo:3,Ti:0.9,Al:0.5}},
  {id:'cmsx4',name:'CMSX-4 (Ni superalloy)',rho:8.70,comp:{Ni:0,Co:9.6,Cr:6.5,Ta:6.5,W:6.4,Al:5.6,Re:3,Ti:1,Mo:0.6,Hf:0.1}},
  {id:'cocrmo',name:'CoCrMo (F75)',rho:8.30,comp:{Co:0,Cr:28,Mo:6}},
  {id:'cu',name:'Copper (pure)',rho:8.96,comp:{Cu:0}},
  {id:'brass',name:'Brass C260 (Cu-30Zn)',rho:8.53,comp:{Cu:0,Zn:30}},
  {id:'zry4',name:'Zircaloy-4',rho:6.56,comp:{Zr:0,Sn:1.5,Fe:0.2,Cr:0.1}},
  {id:'w',name:'Tungsten (pure)',rho:19.25,comp:{W:0}}
];
const BASES=['Mg','Al','Ti','V','Cr','Fe','Co','Ni','Cu','Zn','Zr','Nb','Mo','Sn','Hf','Ta','W','Re'];
function muRhoAt(el,E){const a=MU[el],x=(E-MU_E0)/MU_DE,i=Math.max(0,Math.min(a.length-2,Math.floor(x))),f=x-i;
  return Math.exp(Math.log(a[i])*(1-f)+Math.log(a[i+1])*f)}            // log interpolation between 1 keV points
function matInfo(P){const M=P.mat||{};
  if(M.src==='preset'){const A=ALLOYS.find(a=>a.id===M.preset);if(!A)return null;
    const base=Object.keys(A.comp)[0],tot=Object.entries(A.comp).reduce((s,[k,v])=>s+(k===base?0:v),0);
    const w=Object.fromEntries(Object.entries(A.comp).map(([k,v])=>[k,(k===base?100-tot:v)/100]));
    return {name:A.name,rho:A.rho,w}}
  if(M.src==='custom'&&M.rho>0&&M.base)return {name:`${M.base}-based material`,rho:M.rho,w:{[M.base]:1}};
  return null}
function transAt(info,E,tmm){const mr=Object.entries(info.w).reduce((s,[el,f])=>s+f*muRhoAt(el,E),0);return Math.exp(-mr*info.rho*tmm/10)}
const T_GOOD=0.10,T_BEST=Math.exp(-1),E_LO=15,E_HI=90;   // energies considered (keV)
const ELINES=[['3A mono',18,88],['1A3 mono',55,90],['1A3 white beam',50,200]];
function energyPlan(P){const info=matInfo(P),t=P.th;if(!info||!(t>0))return null;
  const Es=[],Ts=[];for(let E=E_LO;E<=E_HI;E+=0.5){Es.push(E);Ts.push(transAt(info,E,t))}
  const ok=E=>transAt(info,E,t)>=T_GOOD;
  const lines=ELINES.map(([n,a,b])=>{const segs=[];let st=null;
    for(let E=a;E<=b+1e-9;E+=0.5){if(ok(E)){if(st===null)st=E}else if(st!==null){segs.push([st,E-0.5]);st=null}}
    if(st!==null)segs.push([st,b]);return {n,a,b,segs}});
  const gi=Ts.findIndex((x,i)=>Ts.slice(i).every(y=>y>=T_GOOD));
  const bi=Ts.findIndex(x=>x>=T_BEST);
  return {info,t,Es,Ts,lines,eGood:gi>=0?Es[gi]:null,eBest:bi>=0?Es[bi]:null}}
const HEDM=['ff','nf'];
const isHedm=T=>HEDM.includes(T.tech==='custom'?T.custom.closest:T.tech);
/* near-field and far-field share one beam energy, stored on the sample's plan */
const plannedE=m=>m.plan.pE;
const setPlannedE=(m,v)=>{m.plan.pE=v};
const W_LO=50,W_HI=200,TW_GOOD=0.005,TW_YLO=0.005,TW_YHI=0.5;   // white beam: ≥0.5% transmission counts as good; chart shows 0.5–50% (log)
function whitePlan(P){const info=matInfo(P),t=P.th;if(!info||!(t>0))return null;
  const Es=[],Ts=[];for(let E=W_LO;E<=W_HI;E+=1){Es.push(E);Ts.push(transAt(info,E,t))}
  const gi=Ts.findIndex((x,i)=>Ts.slice(i).every(y=>y>=TW_GOOD));
  return {info,t,Es,Ts,eGood:gi>=0?Es[gi]:null,tLo:Ts[0],tHi:Ts[Ts.length-1]}}
/* filtered white beam, flux vs energy, read approximately from the beamline's spectrum plot */
const WSPEC=[[40,7e9],[45,3e10],[50,6e10],[55,9e10],[60,1.15e11],[65,1.3e11],[70,1.38e11],[75,1.42e11],[80,1.42e11],[90,1.3e11],[100,1.15e11],[110,9.5e10],[120,7.8e10],[130,6.2e10],[140,4.7e10],[150,3.5e10],[160,2.6e10],[170,1.9e10],[180,1.4e10],[190,1.05e10],[200,7.5e9]];
function wFlux(E){if(E<=WSPEC[0][0])return WSPEC[0][1];for(let i=1;i<WSPEC.length;i++){const [e1,f1]=WSPEC[i-1],[e2,f2]=WSPEC[i];if(E<=e2){const t=(E-e1)/(e2-e1);return Math.exp(Math.log(f1)*(1-t)+Math.log(f2)*t)}}return WSPEC[WSPEC.length-1][1]}
function specStats(wp){let pk=0,pi=0;const tr=wp.Es.map((E,i)=>wFlux(E)*wp.Ts[i]);tr.forEach((v,i)=>{if(v>pk){pk=v;pi=i}});
  const tot=tr.reduce((a,b)=>a+b,0),inc=wp.Es.reduce((a,E)=>a+wFlux(E),0);
  return {peak:wp.Es[pi],peakFlux:pk,frac:tot/inc,tr}}
function drawSpec(fig,wp){
  const sv=fig.querySelector('svg'),W=460,H=230,L=52,R=14,T=14,B=48,lg=Math.log10,st=specStats(wp);
  const hi=Math.ceil(lg(Math.max(...wp.Es.map(wFlux)))),lo=Math.max(hi-6,Math.floor(lg(Math.max(st.peakFlux,1)))-3);
  const X=E=>L+(W-L-R)*(E-W_LO)/(W_HI-W_LO),Y=f=>T+(H-T-B)*(1-(lg(Math.min(Math.max(f,10**lo),10**hi))-lo)/(hi-lo));
  const mono='font-family="IBM Plex Mono,monospace" font-size="10.5"';let g='';
  for(let e=lo;e<=hi;e++)g+=`<line x1="${L}" x2="${W-R}" y1="${Y(10**e)}" y2="${Y(10**e)}" stroke="var(--line)"/><text x="${L-6}" y="${Y(10**e)+3.5}" text-anchor="end" fill="var(--muted)" ${mono}>10${String(e).split('').map(c=>'⁰¹²³⁴⁵⁶⁷⁸⁹'[c]).join('')}</text>`;
  [50,75,100,125,150,175,200].forEach(E=>g+=`<line x1="${X(E)}" x2="${X(E)}" y1="${H-B}" y2="${H-B+4}" stroke="var(--muted)"/><text x="${X(E)}" y="${H-B+15}" text-anchor="middle" fill="var(--muted)" ${mono}>${E}</text>`);
  g+=`<text x="${(L+W-R)/2}" y="${H-B+29}" text-anchor="middle" fill="var(--muted)" font-size="11.5">Beam energy (keV)</text>`;
  g+=`<text x="12" y="${(T+H-B)/2}" text-anchor="middle" fill="var(--muted)" font-size="11.5" transform="rotate(-90 12 ${(T+H-B)/2})">Flux (approx.)</text>`;
  let a='',b='',area='';
  let e0=null;
  wp.Es.forEach((E,i)=>{const x=X(E).toFixed(1);a+=(i?'L':'M')+x+' '+Y(wFlux(E)).toFixed(1);
    if(st.tr[i]>=10**lo){b+=(b?'L':'M')+x+' '+Y(st.tr[i]).toFixed(1);if(e0===null)e0=E}});   // skip the part below the axis
  area=b?b+`L${X(W_HI).toFixed(1)} ${Y(10**lo).toFixed(1)}L${X(e0).toFixed(1)} ${Y(10**lo).toFixed(1)}Z`:'';
  g+=`<path d="${area}" style="fill:color-mix(in srgb,var(--tech) 14%,transparent)"/>`;
  g+=`<path d="${a}" fill="none" stroke="var(--muted)" stroke-width="2" stroke-dasharray="5 4"/><path d="${b}" fill="none" stroke="var(--tech)" stroke-width="2.5"/>`;
  const px=X(st.peak),py=Y(st.peakFlux);
  g+=`<line x1="${px}" x2="${px}" y1="${T}" y2="${H-B}" stroke="var(--ok)" stroke-width="1.5" stroke-dasharray="3 3"/><circle cx="${px}" cy="${py}" r="5" fill="var(--ok)" stroke="var(--panel)" stroke-width="2"/>`;
  g+=`<text x="${px+(px>W-140?-6:6)}" y="${T+11}" text-anchor="${px>W-140?'end':'start'}" fill="var(--ok)" ${mono}>best signal ≈ ${st.peak} keV</text>`;
  sv.innerHTML=g;return st}
function drawWhite(fig,wp){
  const sv=fig.querySelector('svg'),W=460,H=210,L=46,R=14,T=12,B=48,lg=Math.log10;
  const X=E=>L+(W-L-R)*(E-W_LO)/(W_HI-W_LO),Y=t=>T+(H-T-B)*(1-(lg(Math.min(Math.max(t,TW_YLO),TW_YHI))-lg(TW_YLO))/(lg(TW_YHI)-lg(TW_YLO)));
  const mono='font-family="IBM Plex Mono,monospace" font-size="10.5"';let g='';
  [0.005,0.01,0.02,0.05,0.1,0.2,0.5].forEach(t=>g+=`<line x1="${L}" x2="${W-R}" y1="${Y(t)}" y2="${Y(t)}" stroke="var(--line)"/><text x="${L-6}" y="${Y(t)+3.5}" text-anchor="end" fill="var(--muted)" ${mono}>${+(t*100).toFixed(1)}%</text>`);
  [50,75,100,125,150,175,200].forEach(E=>g+=`<line x1="${X(E)}" x2="${X(E)}" y1="${H-B}" y2="${H-B+4}" stroke="var(--muted)"/><text x="${X(E)}" y="${H-B+15}" text-anchor="middle" fill="var(--muted)" ${mono}>${E}</text>`);
  g+=`<text x="${(L+W-R)/2}" y="${H-B+29}" text-anchor="middle" fill="var(--muted)" font-size="11.5">Beam energy (keV)</text>`;
  if(wp.eGood!=null)g+=`<rect x="${X(wp.eGood)}" y="${T}" width="${W-R-X(wp.eGood)}" height="${H-B-T}" style="fill:color-mix(in srgb,var(--ok) 8%,transparent)"/><line x1="${X(wp.eGood)}" x2="${X(wp.eGood)}" y1="${T}" y2="${H-B}" stroke="var(--ok)" stroke-width="1.5"/><text x="${X(wp.eGood)+5}" y="${T+12}" fill="var(--ok)" ${mono}>best signal from ${wp.eGood} keV</text>`;
  let d='';wp.Es.forEach((E,i)=>d+=(i?'L':'M')+X(E).toFixed(1)+' '+Y(wp.Ts[i]).toFixed(1));
  g+=`<path d="${d}" fill="none" stroke="var(--tech)" stroke-width="2.5"/>`;
  if(wp.tLo<TW_YLO)g+=`<text x="${L+6}" y="${Y(TW_YLO)-6}" fill="var(--bad)" ${mono}>below 0.5%</text>`;
  if(wp.tHi>TW_YHI)g+=`<text x="${W-R-4}" y="${T+24}" text-anchor="end" fill="var(--muted)" ${mono}>above 50%</text>`;
  sv.innerHTML=g}
const beamKind=P=>P.beamKind===undefined?(P.white?'white':'mono'):P.beamKind;
const segTxt=sg=>sg.length?sg.map(([a,b])=>a===b?`${a} keV`:`${a}–${b} keV`).join(', '):'none';
function drawTrans(fig,ep,lo=E_LO,hi=E_HI,ticks=[20,30,40,50,60,70,80,90]){
  const sv=fig.querySelector('svg'),W=460,H=210,L=46,R=14,T=12,B=48;
  const X=E=>L+(W-L-R)*(E-lo)/(hi-lo),Y=t=>T+(H-T-B)*(1-t);
  const mono='font-family="IBM Plex Mono,monospace" font-size="10.5"';
  let g='';
  [0,.25,.5,.75,1].forEach(t=>g+=`<line x1="${L}" x2="${W-R}" y1="${Y(t)}" y2="${Y(t)}" stroke="var(--line)"/><text x="${L-6}" y="${Y(t)+3.5}" text-anchor="end" fill="var(--muted)" ${mono}>${t*100}%</text>`);
  ticks.forEach(E=>g+=`<line x1="${X(E)}" x2="${X(E)}" y1="${H-B}" y2="${H-B+4}" stroke="var(--muted)"/><text x="${X(E)}" y="${H-B+15}" text-anchor="middle" fill="var(--muted)" ${mono}>${E}</text>`);
  g+=`<text x="${(L+W-R)/2}" y="${H-B+29}" text-anchor="middle" fill="var(--muted)" font-size="11.5">Beam energy (keV)</text>`;
  g+=`<rect x="${L}" y="${Y(T_GOOD)}" width="${W-L-R}" height="${Y(0)-Y(T_GOOD)}" style="fill:color-mix(in srgb,var(--bad) 9%,transparent)"/><text x="${W-R-4}" y="${Y(0)-5}" text-anchor="end" fill="var(--bad)" ${mono}>below 10%</text>`;
  g+=`<line x1="${L}" x2="${W-R}" y1="${Y(T_BEST)}" y2="${Y(T_BEST)}" stroke="var(--ok)" stroke-dasharray="4 4"/><text x="${W-R-4}" y="${Y(T_BEST)+13}" text-anchor="end" fill="var(--ok)" ${mono}>37%: thickness ≈ one attenuation length (best signal)</text>`;
  let d='';ep.Es.forEach((E,i)=>d+=(i?'L':'M')+X(E).toFixed(1)+' '+Y(ep.Ts[i]).toFixed(1));
  g+=`<path d="${d}" fill="none" stroke="var(--tech)" stroke-width="2.5"/>`;
  if(ep.eGood!=null)g+=`<rect x="${X(ep.eGood)}" y="${T}" width="${W-R-X(ep.eGood)}" height="${H-B-T}" style="fill:color-mix(in srgb,var(--ok) 8%,transparent)"/><line x1="${X(ep.eGood)}" x2="${X(ep.eGood)}" y1="${T}" y2="${H-B}" stroke="var(--ok)" stroke-width="1.5"/><text x="${X(ep.eGood)+5}" y="${T+12}" fill="var(--ok)" ${mono}>acceptable from ${ep.eGood} keV</text>`;
  sv.innerHTML=g;
  fig.querySelector('figcaption').innerHTML=`Transmission through ${ep.t} mm of the sample. Shaded green: at least 10% transmission.`;
}
/* ---------- beam energy and detector distance ---------- */
const LINES=[['3a','3A · 18–88 keV (multilayer / DCM)',18,88],['1a3m','1A3 · 55–90 keV monochromatic',55,90],['1a3w','1A3 · 50–200 keV white beam',50,200],['unsure','Not sure yet',18,200]];
const lineOf=id=>LINES.find(l=>l[0]===id);
const DET={name:'CdTe Eiger 16M',w:311.1,h:327.8},RMAX=DET.w/2;     // mm; beam assumed centred, so a full ring must fit within half the short side
const DMIN=300,DMAX=2000,RINGS=[5,8];
function structOf(m,key){return m.phase==='multi'?(m.phases[+key]||{}).xtal:m.xtal}
// d-spacings (Å) of the first distinct rings, largest first
function ringDs(xtal,a,c){
  if(!(a>0))return null;
  if(xtal==='FCC'||xtal==='BCC'){const out=[];
    for(let N=1;N<=120&&out.length<16;N++){let ok=false;
      for(let h=0;h*h<=N&&!ok;h++)for(let k=0;k<=h&&!ok;k++)for(let l=0;l<=k;l++){if(h*h+k*k+l*l!==N)continue;
        if(xtal==='FCC'?((h%2===k%2)&&(k%2===l%2)):((h+k+l)%2===0)){ok=true;break}}
      if(ok)out.push(a/Math.sqrt(N))}
    return out}
  if(xtal==='HCP'){if(!(c>0))return null;const ds=[];
    for(let h=0;h<=6;h++)for(let k=0;k<=6;k++)for(let l=0;l<=10;l++){if(!h&&!k&&!l)continue;
      if((h-k)%3===0&&l%2===1)continue;                                    // forbidden for hcp
      const inv=4/3*(h*h+h*k+k*k)/(a*a)+l*l/(c*c);ds.push(1/Math.sqrt(inv))}
    ds.sort((x,y)=>y-x);const out=[];for(const d of ds){if(!out.length||Math.abs(out[out.length-1]-d)/d>0.002)out.push(d);if(out.length>=16)break}
    return out}
  return null}
// distance range (mm) giving 5–8 complete rings at energy E (keV)
function detRange(ds,E){
  const lam=12.398/E,D=n=>{const s=lam/(2*ds[n-1]);if(s>=1)return 0;const tt=2*Math.asin(s);return RMAX/Math.tan(tt)};
  const hi=D(RINGS[0]),lo=D(RINGS[1]+1);         // ≤ hi keeps ring 5 fully on; > lo keeps ring 9 off
  return {lo,hi,cl:[Math.max(lo,DMIN),Math.min(hi,DMAX)]}}
function detPlan(m,P){
  const E=P.energy,T=effTech(P);
  if(T!=='ff'||!P.det.large)return {mode:'manual'};
  if(E.unsure||!(E.emin>0&&E.emax>0))return {mode:'needE'};
  const es=[...new Set([E.emin,E.emax])];
  const phases=inScope(m).map(p=>{const x=structOf(m,p.key),L=P.lat[p.key]||{};const ds=['FCC','BCC','HCP'].includes(x)?ringDs(x,L.a,L.c):null;
    return {key:p.key,label:m.phase==='multi'?p.label:m.name,xtal:x||'not given',calc:['FCC','BCC','HCP'].includes(x),ds,rows:ds?es.map(e=>({e,...detRange(ds,e)})):null}});
  const calc=phases.filter(p=>p.rows);
  let overall=null;
  if(calc.length){const lo=Math.min(...calc.flatMap(p=>p.rows.map(r=>r.cl[0]))),hi=Math.max(...calc.flatMap(p=>p.rows.map(r=>r.cl[1])));overall=[lo,hi]}
  return {mode:'calc',phases,overall,es,needsLat:phases.some(p=>p.calc&&!p.ds),other:phases.some(p=>!p.calc)}}
const mm=v=>Math.round(v).toLocaleString('en-US')+' mm';

/* ---------- far-field detector distance (large-format area detector, used for the maths only) ---------- */
const DET_W=311.1,R_FULL=DET_W/2;        // mm; beam centred, so a complete ring must fit within half the short side
const subsFor=T=>{const e=T.tech==='custom'?T.custom.closest:T.tech;return ['tech',...(e==='ff'||e==='powder'?['det']:[]),...(e==='edd'?['tth']:[]),'beam',...(e==='ff'||e==='nf'?['scan']:e?['dset']:[])]};
function ringD(ds,E,n){const s=12.398/E/(2*ds[n-1]);if(!(s<1))return 0;return R_FULL/Math.tan(2*Math.asin(s))}
// distances (mm) that keep rings rmin..rmax complete on the detector at energy E
function ffRange(ds,E,rmin,rmax){if(!ds||ds.length<=rmax)return null;
  const hi=ringD(ds,E,rmin),lo=ringD(ds,E,rmax+1);
  return {lo,hi,cl:[Math.max(lo,DMIN),Math.min(hi,DMAX)]}}
// one detector position must suit every phase at once: intersect their distance windows (and 300–2,000 mm)
function commonAt(ph,E,rmin,rmax){let lo=DMIN,hi=DMAX;for(const p of ph){const r=ffRange(p.ds,E,rmin,rmax);if(!r)return null;lo=Math.max(lo,r.lo);hi=Math.min(hi,r.hi)}return lo<=hi?[lo,hi]:null}
function ffPlan(m,P){
  const D=P.det,ep=energyPlan(P);
  if(!ep||ep.eGood==null)return {state:'noE'};
  const full=[ep.eGood,E_HI];
  const phases=inScope(m).map(p=>{const x=structOf(m,p.key),L=P.lat[p.key]||{},calc=['FCC','BCC','HCP'].includes(x);
    const user=!calc?parseDs(L.dlist):[];
    const ds=calc?ringDs(x,L.a,L.c):user.length?user:null;
    const short=!!ds&&ds.length<=(D.rmax||0);                    // need ring rmax+1 to bound the near side
    return {key:p.key,label:m.phase==='multi'?p.label:m.name,xtal:x||'not given',calc,fromUser:!calc&&!!ds,short,ds:short?null:ds,nUser:user.length}});
  const calcPh=phases.filter(p=>p.ds);
  let segs=null,overall=null;
  if(calcPh.length&&ringsOk(D)){segs=[];let st=null,prev=null,lo=Infinity,hi=-Infinity;
    for(let E=full[0];E<=full[1]+1e-9;E+=0.5){const c=commonAt(calcPh,E,D.rmin,D.rmax);
      if(c){lo=Math.min(lo,c[0]);hi=Math.max(hi,c[1]);if(st===null)st=E;prev=E}else if(st!==null){segs.push([st,prev]);st=null}}
    if(st!==null)segs.push([st,prev]);
    overall=segs.length?[lo,hi]:null}
  const es=segs&&segs.length?[segs[0][0],segs[segs.length-1][1]].filter((v,i,a)=>a.indexOf(v)===i):full.filter((v,i,a)=>a.indexOf(v)===i);
  phases.forEach(p=>{p.rows=p.ds&&ringsOk(D)?es.map(e=>({e,...ffRange(p.ds,e,D.rmin,D.rmax)})):null});
  const narrowed=segs&&!(segs.length===1&&segs[0][0]===full[0]&&segs[0][1]===full[1]);
  return {state:'ok',es,full,segs,narrowed,phases,overall,needLat:phases.some(p=>p.calc&&!p.ds),short:phases.filter(p=>p.short),other:phases.some(p=>!p.calc&&!p.fromUser)}}
function parseDs(t){if(!t)return [];const v=String(t).split(/[\s,;]+/).map(Number).filter(x=>x>0.2&&x<30);v.sort((a,b)=>b-a);return v.filter((x,i)=>!i||Math.abs(v[i-1]-x)/x>0.002)}
const segStr=sg=>sg.map(([a,b])=>a===b?`${a} keV`:`${a}–${b} keV`).join(' and ');
function intersectSegs(A,B){const out=[];for(const [a1,b1] of A)for(const [a2,b2] of B){const a=Math.max(a1,a2),b=Math.min(b1,b2);if(a<=b)out.push([a,b])}return out}
/* the sample's acceptable energies after every far-field detector step has had its say */
function sampleEnergy(m){const P=m.plan,ep=energyPlan(P);if(!ep||ep.eGood==null)return null;
  let segs=[[ep.eGood,E_HI]];const by=[];
  P.techs.forEach(T=>{if(!subsFor(T).includes('det')||T.det.kind==='other')return;const fp=ffPlan(m,ctx(P,T));
    if(fp.state==='ok'&&fp.segs){segs=intersectSegs(segs,fp.segs);if(fp.narrowed)by.push(techName(T))}});
  return {full:[ep.eGood,E_HI],segs,by}}
const ringsOk=D=>D.rmin>=1&&D.rmax>=D.rmin&&D.rmax<=14;
const manualOk=D=>D.unsure||(D.dmin>=DMIN&&D.dmax<=DMAX&&D.dmax>=D.dmin);

/* ---------- imaging modalities (optional, alongside the diffraction techniques) ---------- */
const IMODS=[
  {id:'absr',name:'Absorption radiography',short:'2D projections from differences in absorption (density, atomic number). Fast; good for following pores, cracks or melt pools.',tomo:false,phase:false},
  {id:'abst',name:'Absorption tomography',short:'3D volume from many projections over 180°. Pores, cracks and phases that differ in density.',tomo:true,phase:false},
  {id:'phr',name:'Phase-contrast radiography',short:'Edge-enhanced 2D projections. Sharpens tight cracks and weak-contrast interfaces.',tomo:false,phase:true},
  {id:'pht',name:'Phase-contrast tomography',short:'Edge-enhanced 3D volume, for features with little absorption difference.',tomo:true,phase:true}
];
const ITARGET=[['density','Phases of different density'],['pores','Pores, cracks, voids'],['interfaces','Interfaces']];
const IMG_SUBS=['imod','ires'];
const NEWIMG=()=>({id:uid(),mod:null,custom:{name:'',notes:''},target:null,f:5});
const imodOf=I=>IMODS.find(x=>x.id===I.mod);
const imgName=I=>I.mod==='custom'?(I.custom.name||'Custom imaging'):imodOf(I)?imodOf(I).name:'';
const IPIX=2048,IPX=0.69;                             // camera pixels across (assumed) and the beamline's pixel size (µm)
const iPixel=()=>IPX,iFov=()=>IPIX*IPX,iAcross=I=>I.f/IPX;
/* absorption-contrast tomography works best around 10–40% transmission, optimum near μt ≈ 2 (≈14%) */
const TT_LO=0.10,TT_HI=0.40;
function imgEnergy(m){const ep=energyPlan(m.plan);if(!ep)return null;
  const segs=[];let st=null,prev=null;
  ep.Es.forEach((E,i)=>{const t=ep.Ts[i],ok=t>=TT_LO&&t<=TT_HI;if(ok){if(st===null)st=E;prev=E}else if(st!==null){segs.push([st,prev]);st=null}});
  if(st!==null)segs.push([st,prev]);
  let bi=-1,bd=Infinity;ep.Es.forEach((E,i)=>{const d=Math.abs(Math.log(ep.Ts[i])+2);if(d<bd){bd=d;bi=i}});
  const best=bd<0.35?ep.Es[bi]:null;
  const se=sampleEnergy(m),diff=se?se.segs:[];
  return {ep,segs,best,tBest:best?ep.Ts[bi]:null,diff,overlap:intersectSegs(segs,diff),tLo:ep.Ts[0],tHi:ep.Ts[ep.Ts.length-1]}}
function imgEnergyText(m){const ie=imgEnergy(m);if(!ie)return 'Finish the beam energy step for this sample to see the energy check.';
  if(!ie.segs.length)return ie.tHi<TT_LO?`Even at ${E_HI} keV less than 10% of the beam gets through ${ie.ep.t} mm, so tomographic contrast will be noisy. A thinner sample would help.`
    :`Transmission through ${ie.ep.t} mm stays above 40% down to ${E_LO} keV, so contrast is weak at every energy here; use the lowest energy available.`;
  return `Best tomographic contrast for ${ie.ep.t} mm of ${esc(ie.ep.info.name)}: <b>${segStr(ie.segs)}</b> (10–40% transmission)`+(ie.best?`, ideally near <b>${ie.best} keV</b> (about ${Math.round(ie.tBest*100)}%)`:'')+'.'
    +(ie.diff.length?(ie.overlap.length?` This overlaps the diffraction energy range at <b>${segStr(ie.overlap)}</b>.`:` This does not overlap the diffraction energy range (${segStr(ie.diff)}), so imaging and diffraction would want different energies.`):'')}
/* acceptable energies for every modality chosen for this sample, and where they overlap */
function energyBreakdown(m){const P=m.plan,ep=energyPlan(P);if(!ep||ep.eGood==null)return null;
  const rows=[],base=[[ep.eGood,E_HI]];
  rows.push({k:'Transmission through the sample',v:base,note:'at least 10% gets through'});
  const techs=P.techs.filter(T=>T.tech&&(T.tech!=='custom'||T.custom.closest));
  let all=base;
  if(techs.length){const se=sampleEnergy(m);const d=se?se.segs:base;
    const best=ep.eBest!=null&&d.some(([x,y])=>ep.eBest>=x&&ep.eBest<=y)?ep.eBest:null;
    rows.push({k:'Diffraction',v:d,note:(se&&se.by.length?`narrowed by ${se.by.map(esc).join(', ')} detector placement; `:'')+(best?`strongest signal near ${best} keV (sample ≈ one attenuation length)`:'lower energies in this range give more signal'),cls:'d'});
    all=intersectSegs(all,d)}
  const imgs=(P.imgs||[]).filter(I=>I.mod);
  if(imgs.length){const ie=imgEnergy(m);const v=ie?ie.segs:[];
    rows.push({k:'Absorption imaging',v,note:ie&&ie.best?`best contrast near ${ie.best} keV (10–40% transmission)`:'10–40% transmission',cls:'i'});
    all=intersectSegs(all,v)}
  const n=rows.length-1;
  return {rows,all,n}}
const segOr=(sg,none)=>sg.length?segStr(sg):none;
function imgFlags(m,I){const r=[],md=imodOf(I),t=(m.plan.th||0)*1000,F=iFov(I),W=sampleWidth(m.plan);
  if(md&&I.target==='interfaces'&&!md.phase)r.push('Interfaces between materials of similar density give little absorption contrast.');
  if(iAcross(I)<2)r.push(`Smaller than about two ${IPX} µm pixels, so it cannot be resolved.`);
  else if(iAcross(I)<3)r.push(`Only ${iAcross(I).toFixed(1)} pixels across the smallest feature, so it will be barely resolved.`);
  const across=isFinite(W)?W:null;
  if(across&&F<across)r.push(`Field of view (~${um(F)}) is smaller than the sample width (${um(across)}): ${md&&md.tomo?'interior (local) tomography only':'you image a window, not the whole width'}.`);
  if(md&&md.tomo&&m.plan.geom==='plate')r.push('A plate is wide in one direction, so tomography sees long paths edge-on. Consider laminography or cutting a bar.');
  return r}

/* ---------- experimental setup / sample environment (per sample) ---------- */
const FRAMES=[['RAMSII','RAMS II'],['RAMSIV','RAMS IV'],['Bose','Bose'],['CCLF','CCLF']];
const HEAT_FRAMES=['RAMSII','RAMSIV','RAMSII+RAMSIV'],T_MAX=800;
const frameName=f=>f==='RAMSII+RAMSIV'?'RAMS II or RAMS IV':(FRAMES.find(x=>x[0]===f)||[,f])[1];
function envFlags(E){const r=[];if(!E||E.mode!=='in')return r;
  if(E.kind==='special')r.push(`Specialized in-situ setup${E.special?`: ${esc(E.special)}`:''}.`);
  if(E.kind==='mech'&&HEAT_FRAMES.includes(E.frame)&&E.heat&&E.hot)r.push(`Temperatures above ${T_MAX} °C requested on the ${frameName(E.frame)}.`);
  if(E.kind==='mech'&&E.frame&&E.cool)r.push(`Cryostream / cooling requested on the ${frameName(E.frame)}.`);
  return r}
function envText(E){if(!E||!E.mode)return '';
  if(E.mode==='ex'){const b=[E.weight&&`sample weight ${esc(E.weight)}`,E.travel&&`total travel ${esc(E.travel)}`,E.dof&&`degrees of freedom: ${esc(E.dof)}`,E.exNote&&esc(E.exNote)].filter(Boolean);
    return `Ex situ${b.length?' <small>· '+b.join(' · ')+'</small>':''}`}
  if(E.kind==='special')return `In situ · specialized setup${E.special?` <small>(${esc(E.special)})</small>`:''}`;
  let t=`In situ · mechanical testing${E.frame?` on the ${frameName(E.frame)}${E.frame==='RAMSII+RAMSIV'?' (either is fine)':''}`:''}`;
  if(HEAT_FRAMES.includes(E.frame)&&E.heat)t+=` <small>· heating ${E.tmin??'?'}–${E.tmax??'?'} °C${E.hot?`, plus above ${T_MAX} °C`:''}</small>`;
  if(E.frame&&E.cool)t+=` <small>· cryostream / cooling</small>`;
  return t}
const whiteOk=T=>(T.tech==='custom'?T.custom.closest:T.tech)==='edd'||(T.tech==='custom'&&/laue/i.test(T.custom.name||''));
const isLaue=T=>T.tech==='custom'&&/laue/i.test(T.custom.name||'');
// a technique that does not work with the beam chosen for this sample (e.g. after switching mono ↔ white)
function beamClash(m,T){if(!T||!T.tech)return '';const e=effTech(T),wb=beamKind(m.plan)==='white',nm=esc(techName(T));
  if(wb&&['ff','nf','powder'].includes(e)&&!isLaue(T))return `White beam is selected for this sample, but ${nm} needs a monochromatic beam. Change the beam choice or the technique.`;
  if(!wb&&(e==='edd'||isLaue(T)))return `Monochromatic beam is selected for this sample, but ${nm} needs the white beam. Change the beam choice or the technique.`;
  return ''}
const beamClashes=m=>(m.plan.techs||[]).map((T,i)=>({i,t:beamClash(m,T)})).filter(x=>x.t);
const clashNote=t=>t?`<br><small class="redflag">✕ Incompatible: ${t}</small>`:'';
function whiteFlags(m){const P=m.plan;if(!P.white||beamClashes(m).length)return [];const ts=(P.techs||[]).filter(T=>T.tech);
  return ts.length&&!ts.some(whiteOk)?['White beam is selected, but no EDXRD or Laue technique is planned for this sample. White beam is only compatible with those.']:[]}
function envOk(E){if(!E||!E.mode)return false;
  if(E.mode==='ex')return !!(E.weight||E.travel||E.dof||E.exNote).trim();
  if(E.kind==='special')return !!E.special.trim();
  if(E.kind!=='mech'||!E.frame)return false;
  if(HEAT_FRAMES.includes(E.frame)&&E.heat)return E.tmin!=null&&E.tmax!=null&&E.tmin>=0&&E.tmax<=T_MAX&&E.tmin<=E.tmax;
  return true}
function envNeed(E){if(!E||!E.mode)return 'Choose in situ or ex situ.';
  if(E.mode==='ex')return 'Describe the staging needs briefly.';
  if(!E.kind)return 'Choose mechanical testing or a specialized setup.';
  if(E.kind==='special')return 'Describe the specialized setup briefly.';
  if(!E.frame)return 'Choose a load frame.';
  return `Enter a temperature range between 0 and ${T_MAX} °C.`}

/* ---------- EDXRD: reflections on the energy spectrum ---------- */
const TTH_MIN=5,TTH_MAX=9;
// reflections with hkl labels, largest d first
function reflList(xtal,a,c,n=24){
  if(!(a>0))return null;const out=[];
  if(xtal==='FCC'||xtal==='BCC'){
    for(let N=1;N<=200&&out.length<n;N++){let hkl=null;
      for(let h=0;h*h<=N&&!hkl;h++)for(let k=0;k<=h&&!hkl;k++)for(let l=0;l<=k;l++){if(h*h+k*k+l*l!==N)continue;
        if(xtal==='FCC'?((h%2===k%2)&&(k%2===l%2)):((h+k+l)%2===0)){hkl=`${h}${k}${l}`;break}}
      if(hkl)out.push({d:a/Math.sqrt(N),hkl})}
    return out}
  if(xtal==='HCP'){if(!(c>0))return null;const all=[];
    for(let h=0;h<=6;h++)for(let k=0;k<=h;k++)for(let l=0;l<=10;l++){if(!h&&!k&&!l)continue;
      if((h-k)%3===0&&l%2===1)continue;
      all.push({d:1/Math.sqrt(4/3*(h*h+h*k+k*k)/(a*a)+l*l/(c*c)),hkl:`${h}${k}${l}`})}
    all.sort((x,y)=>y.d-x.d);for(const r of all){if(!out.length||Math.abs(out[out.length-1].d-r.d)/r.d>0.002)out.push(r);if(out.length>=n)break}
    return out}
  return null}
const eOf=(d,tthDeg)=>12.398/(2*d*Math.sin(tthDeg*Math.PI/360));    // keV for a reflection at take-off angle 2θ
function tthPhases(m){const P=m.plan;return inScope(m).map(p=>{const x=structOf(m,p.key),L=P.lat[p.key]||(P.lat[p.key]={}),calc=['FCC','BCC','HCP'].includes(x);
  return {key:p.key,label:m.phase==='multi'?p.label:m.name,xtal:x||'not given',calc,L,refl:calc?reflList(x,L.a,L.c):null}})}
function drawPeaks(fig,m,tth){
  const sv=fig.querySelector('svg'),W=460,H=230,L=46,R=14,T=34,B=48;
  const X=E=>L+(W-L-R)*(E-W_LO)/(W_HI-W_LO);
  const mono='font-family="IBM Plex Mono,monospace" font-size="10"';let g='';
  const wp=whitePlan(m.plan);
  // transmitted filtered white beam as a relative background (linear, normalised)
  let tr=null,mx=1;if(wp){tr=wp.Es.map((E,i)=>wFlux(E)*wp.Ts[i]);mx=Math.max(...tr)||1}
  const Y=v=>T+(H-T-B)*(1-v);
  [0,.5,1].forEach(v=>g+=`<line x1="${L}" x2="${W-R}" y1="${Y(v)}" y2="${Y(v)}" stroke="var(--line)"/>`);
  [50,75,100,125,150,175,200].forEach(E=>g+=`<line x1="${X(E)}" x2="${X(E)}" y1="${H-B}" y2="${H-B+4}" stroke="var(--muted)"/><text x="${X(E)}" y="${H-B+15}" text-anchor="middle" fill="var(--muted)" ${mono}>${E}</text>`);
  g+=`<text x="${(L+W-R)/2}" y="${H-B+29}" text-anchor="middle" fill="var(--muted)" font-size="11.5">Energy (keV) at 2θ = ${tth}°</text>`;
  g+=`<text x="12" y="${(T+H-B)/2}" text-anchor="middle" fill="var(--muted)" font-size="11.5" transform="rotate(-90 12 ${(T+H-B)/2})">Relative</text>`;
  if(tr){let a='';wp.Es.forEach((E,i)=>a+=(i?'L':'M')+X(E).toFixed(1)+' '+Y(tr[i]/mx).toFixed(1));
    g+=`<path d="${a}L${X(W_HI)} ${Y(0)}L${X(W_LO)} ${Y(0)}Z" style="fill:color-mix(in srgb,var(--muted) 12%,transparent)"/><path d="${a}" fill="none" stroke="var(--muted)" stroke-width="1.5" stroke-dasharray="4 3"/>`}
  const cols=['var(--tech)','var(--sample)','var(--ser3)','var(--imag)'];const rows=[];
  tthPhases(m).filter(p=>p.refl).forEach((p,pi)=>{const col=cols[pi%cols.length];const inR=[];
    p.refl.forEach(r=>{const E=eOf(r.d,tth);if(E<W_LO||E>W_HI)return;inR.push({...r,E});
      const h=tr?Math.max(0.12,wFlux(E)*wp.Ts[Math.round(E-W_LO)]/mx):0.8;
      g+=`<line x1="${X(E)}" x2="${X(E)}" y1="${Y(0)}" y2="${Y(h)}" stroke="${col}" stroke-width="2"/>`;
      if(inR.length<=10)g+=`<text x="${X(E)}" y="${Y(h)-3-(inR.length%2)*9}" text-anchor="middle" fill="${col}" ${mono}>${r.hkl}</text>`});
    rows.push({p,col,inR})});
  sv.innerHTML=g;return rows}
function tthOk(m,T){const ph=tthPhases(m),anyCalc=ph.some(p=>p.calc),okA=T.tth>=TTH_MIN&&T.tth<=TTH_MAX;
  if(anyCalc)return okA&&ph.filter(p=>p.calc).every(p=>p.refl);
  return okA||!!T.tthUnsure}
function tthNeed(m,T){const ph=tthPhases(m),anyCalc=ph.some(p=>p.calc),okA=T.tth>=TTH_MIN&&T.tth<=TTH_MAX;
  if(!okA)return anyCalc?`Enter a take-off angle between ${TTH_MIN}° and ${TTH_MAX}°.`:`Enter a take-off angle between ${TTH_MIN}° and ${TTH_MAX}°, or choose “I don’t know”.`;
  return 'Enter the nominal lattice parameters.'}
/* ---------- rules: one material's plan (P) against that material (m) ---------- */
function effTech(P){return P.tech==='custom'?P.custom.closest:P.tech}
function phasesOf(m){return m.phase==='multi'?m.phases.map((p,i)=>({...p,label:p.name||`phase ${i+1}`})).filter(p=>p.interest):[]}
function defFlags(m,id){if(id!=='ff'&&id!=='nf')return [];const P=m.plan,r=[];
  inScope(m).forEach(p=>{const M=(P.micro||{})[p.key];if(!M||!M.def||M.def==='none')return;
    const who=m.phase==='multi'?`${esc(p.label)} is`:'The sample is';
    r.push(`${who} ${M.def==='high'?'highly':'somewhat'} deformed. ${M.def==='high'?'Smeared, overlapping':'Broadened'} spots may impact your ability to successfully do ${id==='ff'?'far-field':'near-field'} HEDM on it.`)});
  return r}
function check(m,P){
  const id=effTech(P);const r=[];const add=(l,t)=>r.push([l,t]);
  if(!id||id==='none')return finish(r);
  defFlags(m,id).forEach(t=>add('caution',t));
  {const bc=beamClash(m,P);if(bc)add('blocked',bc)}     // deformation smears HEDM spots
  const s=P,sized=GRAIN_FLAGS&&!!s.dist,z=sizes(s),uni=isUni(s),N=diffVol(s)*invD3(s);
  if(id==='ff'){
    if(sized){
      if(z.hi<5)add('blocked','Grains under ~5 µm: spots merge into rings and cannot be indexed.');
      else if(z.lo<5)add('caution',`The fine ${popWord(s)} (~${um(z.lo)}) will merge into rings under the spots of the larger grains.`);
      else if(z.lo<15)add('caution',uni?'Small grains (<15 µm): weak, crowded spots.':`The fine ${popWord(s)} (~${um(z.lo)}) gives weak, crowded spots.`);
      if(N>30000)add('blocked',`~${sci(N)} grains in the beam: far too much spot overlap (aim for < ~5,000). A smaller box beam or thinner sample helps.`);
      else if(N>5000)add('caution',`~${sci(N)} grains in the beam: heavy spot overlap. Consider a smaller box beam.`);
    }
    if(m.phase==='multi'){const minor=phasesOf(m).filter(p=>p.frac>0&&p.frac<10);
      if(minor.length)add('caution',`Minor phase${minor.length>1?'s':''} ${minor.map(p=>`${esc(p.label)} (${p.frac}%)`).join(', ')}: few grains to index; check there are enough in the beam.`);
      else if(phasesOf(m).some(p=>p.frac==null))add('caution','If a phase of interest is a minor phase, it may have few grains to index. Adding phase fractions sharpens this check.');}
    if(GEOM_FLAGS&&s.geom==='plate')add('caution','A plate’s path length changes strongly as it rotates, so only a limited rotation range is usable.');
    if(GEOM_FLAGS&&s.geom==='dense')add('caution','Dense part: check clearance for a full rotation.');
  }
  if(id==='nf'){
    if(sized){
      if(z.hi<10)add('blocked','Grains under ~10 µm are close to the near-field resolution.');
      else if(z.lo<10)add('caution',`The fine ${popWord(s)} (~${um(z.lo)}) is below near-field resolution and will be missed.`);
      else if(z.lo<30)add('caution',uni?'Grains under ~30 µm: only a few voxels per grain.':`The fine ${popWord(s)} (~${um(z.lo)}) gets only a few voxels per grain.`);
      if(N>20000)add('blocked',`~${sci(N)} grains in the beam: too many to reconstruct.`);
    }
    if(GEOM_FLAGS&&s.geom==='plate')add('caution','A plate’s path length changes strongly as it rotates, so only a limited rotation range is usable.');
    if(GEOM_FLAGS&&s.geom==='dense')add('caution','Dense part: check that the part can rotate with the detector a few mm away.');
  }
  if(id==='powder'){
    if(P.beam&&P.th>0){const c=beamChoice(m,P);if(c.w>0&&c.h>0){const mc=beamModel(m,P,c.w);
      mc.ph.forEach(x=>{const N=x.perH*c.h;if(N<LIM.powder.lo)add('caution',`${mc.ph.length>1?esc(x.label)+': the':'The'} total diffraction volume (${dvol(mc,c.h)}) holds about ${fmtN(N)} grains; it should have at least ${fmtN(LIM.powder.lo)} for smooth powder rings.`)})}}
    if(sized){
      if(N<500)add('blocked',`Only ~${sci(N)} grains in the beam: rings will be spotty, not continuous.`);
      else if(N<5000)add('caution',`~${sci(N)} grains in the beam: rings may be spotty. Rocking the sample helps.`);
      else if(!uni){const Nc=coarseCount(s,diffVol(s));if(Nc<5000)add('caution',`Only ~${sci(Nc)} grains from the coarse ${popWord(s)} (~${um(z.hi)}): expect spots on top of the rings.`)}
    }
    const trace=phasesOf(m).filter(p=>p.frac>0&&p.frac<2);
    if(trace.length)add('caution',`${trace.map(p=>`${esc(p.label)} (${p.frac}%)`).join(', ')}: close to the powder detection limit; long exposures needed.`);
    if(GEOM_FLAGS&&s.geom==='dense')add('caution','Dense part: transmission averages over a long path. EDXRD gives a local gauge volume.');
  }
  if(id==='edd'&&sized){
    const G=gaugeVol(s)*invD3(s);
    if(G<200)add('caution',`Only ~${sci(G)} grains in the gauge volume: poor grain statistics. Oscillate the sample or enlarge the gauge volume.`);
    else if(G<2000)add('caution',`~${sci(G)} grains in the gauge volume: borderline statistics.`);
  }
  return finish(r);
}
function finish(r){let l='ok';for(const [x] of r)if(LV[x]>LV[l])l=x;r.sort((a,b)=>LV[b[0]]-LV[a[0]]);return {level:l,reasons:r}}

/* ---------- step definitions ---------- */
function matAnswer(x){
  let a=esc(x.name)+(x.comp?` <small>(${esc(x.comp)})</small>`:'');
  if(x.phase==='single')a+=` <small>· single phase${x.xtal?', '+x.xtal:''}</small>`;
  if(x.phase==='multi'){const fmt=(p,i)=>esc(p.name||'phase '+(i+1))+(p.xtal?' '+p.xtal:'')+(p.frac?' '+p.frac+'%':'');
    const ps=x.phases.map((p,i)=>({p,i}));
    const yes=ps.filter(o=>o.p.interest),also=ps.filter(o=>!o.p.interest&&(o.p.name||o.p.xtal||o.p.frac));
    a+=` <small>· multiphase · of interest: ${yes.map(o=>fmt(o.p,o.i)).join(', ')||'none yet'}${also.length?'; also present: '+also.map(o=>fmt(o.p,o.i)).join(', '):''}</small>`}
  return a;
}
const MATSTEP={title:'Materials of interest',answer:()=>named().map(matAnswer).join('; '),
  ok:()=>named().length&&named().every(m=>m.phase&&(m.phase!=='multi'||m.phases.some(p=>p.interest))),
  need:()=>!named().length?'Name at least one material.':named().some(m=>!m.phase)?'Say whether each material is single phase or multiphase.':'Tick at least one phase of interest in each multiphase material.'};
const SUB={
  tech:{title:'Diffraction technique',
    answer:P=>P.tech==='custom'?`${esc(P.custom.name)} <small>· custom, closest to ${P.custom.closest==='none'?'none of the four':TN[P.custom.closest]}</small>`:esc(TN[P.tech]),
    ok:P=>P.tech&&(P.tech!=='custom'||(P.custom.name.trim()&&P.custom.closest)),
    need:P=>P.tech==='custom'?'Name the technique and pick the closest standard one.':'Pick a technique.'},
  micro:{title:'Microstructure',
    answer:(P,m)=>{const S=inScope(m),multi=m.phase==='multi';
      return S.map(p=>{const M=microOf(P,p.key);
        return (multi?`<b>${esc(p.label)}</b>: `:'')+distName(M)+' <small>· '+statLine(M)+(M.tex?' · '+texText(M):'')+(M.def?' · '+defText(M):'')+'</small>'}).join('<br>')},
    ok:(P,m)=>inScope(m).length&&inScope(m).every(p=>{const M=microOf(P,p.key);return M.dist&&M.tex&&M.def}),
    need:(P,m)=>!inScope(m).length?'Tick a phase of interest in step 1.':m.phase==='multi'?'Choose a grain size distribution, expected texture and deformation level for each phase of interest.':'Choose a grain size distribution, expected texture and deformation level.'},
  energy:{title:'Beam energy',
    answer:(P,m)=>{const ep=energyPlan(P);if(!ep)return '';
      if(beamKind(P)==='white'){const wp=whitePlan(P);return `${esc(ep.info.name)} <small>(${ep.info.rho} g/cm³)</small> · <b>Filtered white beam</b> (${W_LO}–${W_HI} keV) · through ${wp.t} mm: best signal ≈ <b>${specStats(wp).peak} keV</b>, ≈ ${(f=>f<0.01?(f*100).toFixed(2):Math.round(f*100))(specStats(wp).frac)}% transmitted<br><small>Only compatible with EDXRD and Laue techniques</small>`+(whiteFlags(m).length?`<br><small class="flagd">Flagged for discussion: ${whiteFlags(m)[0]}</small>`:'')}
      const se=sampleEnergy(m),nar=se&&se.by.length?`<br><small>Narrowed by ${se.by.map(esc).join(', ')} detector placement: <b>${se.segs.length?segStr(se.segs):'no energy works for every technique'}</b></small>`:'';
      const eb=energyBreakdown(m);
      const brk=eb&&eb.n?'<br>'+eb.rows.slice(1).map(r=>`<small>${r.k}: <b>${segOr(r.v,'none')}</b></small>`).join('<br>')+(eb.n>1?`<br><small>All selected modalities: <b>${segOr(eb.all,'no common energy')}</b></small>`:''):'';
      return `${esc(ep.info.name)} <small>(${ep.info.rho} g/cm³)</small> · Monochromatic beam · ${ep.eGood!=null?`acceptable energies <b>${ep.eGood}–${E_HI} keV</b> <small>(≥ 10% transmission through ${ep.t} mm)</small>`:`below 10% transmission up to ${E_HI} keV`}`+brk},
    ok:(P,m)=>!!energyPlan(P)&&!!beamKind(P),
    need:P=>!(P.th>0)?'Enter the sample thickness in the geometry step first.':!matInfo(P)?(P.mat.src==='custom'?'Enter the density and main element.':'Pick a common alloy or enter a density.'):'Choose a monochromatic or white beam.'},
  det:{title:'Detector',
    answer:(P,m)=>{const D=P.det;
      if(D.kind==='other')return `Other detector${D.otherNote?`: ${esc(D.otherNote)}`:''}`;
      const fp=ffPlan(m,P);let t=`Large-format area detector · ${D.rmin}–${D.rmax} complete hkl rings`;
      if(fp.state==='ok'&&fp.segs)t+=`<br><small>${fp.overall?`about ${mm(fp.overall[0])} – ${mm(fp.overall[1])} behind the sample`:'no distance within 300–2,000 mm gives that many rings'}${fp.narrowed?` · energies narrowed to ${fp.segs.length?segStr(fp.segs):'none'}`:''}</small>`;
      if(fp.other)t+=`<br><small>Other phases: ${D.unsure?'distance not known yet':D.dmin?`${mm(D.dmin)} – ${mm(D.dmax)}`:''}</small>`;
      return t},
    ok:(P,m)=>{const D=P.det;if(D.kind==='other')return !!(D.otherNote||'').trim();
      const fp=ffPlan(m,P);return ringsOk(D)&&fp.state==='ok'&&!fp.needLat&&!fp.short.length&&(!fp.other||manualOk(D))},
    need:(P,m)=>{const D=P.det;if(D.kind==='other')return !(D.otherNote||'').trim()?'Describe the alternative detector you have in mind.':'Enter the anticipated detector distance range (300–2,000 mm), or click “I don’t know”.';
      const fp=ffPlan(m,P);if(fp.state==='noE')return 'Finish the beam energy step for this sample first.';
      if(!ringsOk(D))return 'Enter how many rings you want on the detector.';
      if(fp.needLat)return 'Enter the lattice parameters for each phase.';
      if(fp.short.length)return `Enter at least ${D.rmax+1} d-spacings for ${fp.short.map(p=>p.label).join(', ')}, or clear them and give a range.`;
      return 'Enter the anticipated detector distance range for the other phases, or click “I don’t know”.'}},
  imod:{title:'Imaging modality',
    answer:I=>`${esc(imgName(I))}${I.mod==='custom'&&I.custom.notes?` <small>(${esc(I.custom.notes)})</small>`:''} · <small>${(ITARGET.find(x=>x[0]===I.target)||[,''])[1].toLowerCase()}</small>`,
    ok:I=>I.mod&&(I.mod!=='custom'||I.custom.name.trim())&&I.target,
    need:I=>!I.mod?'Pick an imaging modality.':I.mod==='custom'&&!I.custom.name.trim()?'Name the imaging modality.':'Say what you need to see.'},
  ires:{title:'Resolution, field of view & energy',
    answer:(I,m)=>{const ie=m?imgEnergy(m):null;return `Features down to ${um(I.f)} <small>· ${IPX} µm pixels (~${iAcross(I).toFixed(iAcross(I)<10?1:0)} across) · field of view ≈ ${um(iFov(I))}</small>`+(ie&&ie.segs.length?`<br><small>Best contrast at ${segStr(ie.segs)}${ie.best?`, ideally ~${ie.best} keV`:''}${ie.diff.length?(ie.overlap.length?` · overlaps diffraction at ${segStr(ie.overlap)}`:' · no overlap with the diffraction range'):''}</small>`:'')},
    ok:()=>true,need:()=>''},
  tth:{title:'Take-off angle (2θ)',
    answer:(P,m)=>{if(P.tthUnsure&&!(P.tth>0))return 'Take-off angle not known yet';if(!(P.tth>0))return '';
      const pk=m?tthPhases(m).filter(p=>p.refl).map(p=>{const r=p.refl.map(x=>({...x,E:eOf(x.d,P.tth)})).filter(x=>x.E>=W_LO&&x.E<=W_HI).slice(0,4);return r.length?`<small>${esc(p.label)}: ${r.map(x=>`${x.hkl} ${x.E.toFixed(1)} keV`).join(', ')}${p.refl.length>4?'…':''}</small>`:''}).filter(Boolean):[];
      return `2θ = <b>${P.tth}°</b>`+(pk.length?'<br>'+pk.join('<br>'):'')},
    ok:()=>true,need:()=>''},
  env:{title:'Experimental setup',
    answer:(P)=>{const f=envFlags(P.env);return envText(P.env)+(f.length?`<br><small class="flagd">Flagged for discussion: ${f.join(' ')}</small>`:'')},
    ok:P=>envOk(P.env),need:P=>envNeed(P.env)},
  dset:{title:'Dataset',
    answer:P=>{const D=P.ds;if(!D.map)return '';const n=dsPoints(D);
      const rot=D.rot?`fly-scanned rotation series at each point: ${D.rotN||'?'} steps over ${D.rotR||'?'}°${D.rotN>0&&D.rotR>0?` (${+(D.rotR/D.rotN).toFixed(3)}° per step)`:''}`:'';
      const how=[rot,flyT(D)?'fly-scanning the translation':'',!flyT(D)&&!D.rot?'stepped translation, no rotation':''].filter(Boolean).join(' · ');
      const frames=D.rot&&D.rotN>0&&n?` · ${(n*D.rotN).toLocaleString('en-US')} frames per volume`:'';
      const av=D.avg&&avgOk(D)?` · unit of interrogation ${D.ax} × ${D.ay} × ${D.az} mm (fly-scanned)`:'';
      return `${{point:'Single point',map1:'1D map (line scan)',map2:'2D map',map3:'3D map'}[D.map]}${n?` · <b>${n.toLocaleString('en-US')}</b> data points per volume${D.map!=='point'?` <small>(${dsGrid(D)})</small>`:''}`:''}<br><small>${how}${frames}${av}</small>`},
    ok:P=>{const D=P.ds;return !!D.map&&dsPoints(D)>0&&(!D.rot||(D.rotN>0&&D.rotR>0))&&!flyClash(D)&&!avgClash(D)&&avgOk(D)},
    need:P=>!P.ds.map?'Choose the type of map.':P.ds.avg&&!avgOk(P.ds)?'Enter the size of your unit of interrogation.':!(dsPoints(P.ds)>0)?'Enter the number of data points.':avgClash(P.ds)?'Choose between fly-scanning the unit of interrogation or the rotation series.':flyClash(P.ds)?'Choose between fly-scanning the translation or the rotation series.':'Enter how many rotation steps and over what angular range.'},
  beam:{title:'Beam size per rotation series',
    answer:(P,m)=>{const c=beamChoice(m,P);if(!c.h)return '';const mc=beamModel(m,P,c.w);return `${um(c.w)} × ${um(c.h)} box`+(effTech(P)==='powder'||effTech(P)==='edd'?'':` <small>(${P.beam.mode==='rec'?'suggested':'custom'})</small>`)+`<br><small>${effTech(P)==='edd'?(g=>`Gauge length FWHM ≈ ${um(g.fwhm)}, tip to tip ≈ ${um(g.tip)} · Gauge volume`)(gaugeLens(mc.wl,P.tth>0?P.tth:7,(P.th||0)*1000)):'Total diffraction volume'} ${dvol(mc,c.h)} · ≈ ${fmtN(mc.ph.reduce((a,x)=>a+x.perH*c.h,0))} grains</small>`},
    ok:(P,m)=>{const c=beamChoice(m,P),mx=(LIM[effTech(P)]||{}).maxH;return c.w>0&&c.h>0&&!(mx&&c.h>mx)},
    need:(P,m)=>!(P.th>0)?'Enter the sample thickness in the geometry step first.':(LIM[effTech(P)]||{}).maxH&&beamChoice(m,P).h>LIM[effTech(P)].maxH?`Near-field beam height is limited to ${LIM[effTech(P)].maxH} µm by the beamstop.`:P.beam.mode==='custom'?'Enter a beam width and height.':'No suggestion for this technique; enter a custom beam size.'},
  scan:{title:'Volumes per state',
    answer:(P,m)=>{const B=P.beam,n=B.nz*nyEff(P),sc=scanSummary(m,P);
      return `<b>${n}</b> rotation series per state <small>(${B.nz} high${showWide(P)?` × ${B.ny} wide`:''})</small>`+(sc?`<br><small>Volume ${sc.vol} · ≈ ${sc.grains} grains per state</small>`:'')},
    ok:P=>P.beam.nz>=1,need:()=>'Enter how many volumes high.'},
  geom:{title:'Sample geometry & size',answer:P=>geomText(P),
    ok:P=>!!P.geom&&P.th>0&&(P.geom!=='custom'||P.custom2.trim()),
    need:P=>!P.geom?'Choose a sample geometry.':P.geom==='custom'&&!P.custom2.trim()?'Describe the custom geometry.':'Enter the sample thickness.'}
};
function order(){return ['mat',...(W.done.mat?named().flatMap(m=>[...SAMPLE_SUBS.map(s=>`${m.id}:${s}`),...m.plan.techs.flatMap(T=>subsFor(T).map(s=>`${m.id}:${T.id}:${s}`)),...(m.plan.imgs||[]).flatMap(I=>IMG_SUBS.map(s=>`${m.id}:${I.id}:${s}`))]):[])]}
function parseKey(k){const p=(k||'').split(':');const m=matById(p[0]);if(!m)return {};return p.length===3?{m,T:m.plan.techs.find(t=>t.id===p[1]),sub:p[2]}:{m,sub:p[1]}}
const techName=T=>T.tech==='custom'?(T.custom.name||'Custom technique'):T.tech?TN[T.tech]:'';
function complete(key){W.done[key]=true;W.open=order().find(k=>!W.done[k])||null;save();renderAll();focusOpen()}

/* ---------- rendering ---------- */
const steps=$('#steps');
let refreshers=[];
function refresh(){refreshers.forEach(f=>f());renderFit()}
function stepShell(key,title,num,state,answerHTML,extraClass,hue){
  const li=document.createElement('li');li.className='step'+(extraClass?' '+extraClass:'');li.dataset.state=state;if(hue)li.dataset.sec=hue;
  li.innerHTML=`<div class="shead"><span class="num" aria-hidden="true">${state==='done'?'✓':num}</span><div class="htext"><span class="stitle">${title}</span>${state==='done'?`<span class="answer">${answerHTML}</span>`:''}</div>${state==='done'?`<button class="edit" type="button" aria-label="Edit ${title}">Edit</button>`:''}</div>`;
  if(state==='done')li.querySelector('.edit').addEventListener('click',()=>{W.open=key;save();renderAll();focusOpen()});
  if(state==='todo'&&key!=='mat'){const b=document.createElement('button');b.type='button';b.className='edit';b.textContent='Fill in';b.setAttribute('aria-label',`Fill in ${title}`);
    b.addEventListener('click',()=>{W.open=key;save();renderAll();focusOpen()});li.querySelector('.shead').appendChild(b)}
  return li;
}
function renderSteps(){
  steps.innerHTML='';
  // step 1: materials
  {const open=W.open==='mat',done=W.done.mat&&!open;const st=open?'open':done?'done':'todo';
   const li=stepShell('mat',MATSTEP.title,1,st,done?MATSTEP.answer():'');
   if(open){const b=document.createElement('div');b.className='sbody';li.appendChild(b);buildMat(b)}
   steps.appendChild(li);}
  if(!W.done.mat){
    const g=document.createElement('li');g.className='group';g.innerHTML=`<span class="gk">Then, for each material</span><h2 style="color:var(--muted)">Diffraction plan</h2><span class="gp">sample first, then one or more techniques</span>`;steps.appendChild(g);
    return;
  }
  named().forEach((m,mi)=>{
    const P=m.plan,keys=order().filter(k=>k.startsWith(m.id+':'));const n=keys.filter(k=>W.done[k]).length;
    const g=document.createElement('li');g.className='group';
    g.innerHTML=`<span class="gk">Plan ${mi+1} of ${named().length}</span><h2>${esc(m.name)}</h2><span class="gp">${n} of ${keys.length} steps done</span>`;
    steps.appendChild(g);
    let letter=0;const L=()=>String.fromCharCode(97+letter++);
    const stepLi=(key,def,ans,hue,builder)=>{
      const open=W.open===key,done=W.done[key]&&!open;const st=open?'open':done?'done':'todo';
      const li=stepShell(key,def.title,L(),st,done?ans():'','sub'+(hue?' tstep':''),hue);
      if(open){const b=document.createElement('div');b.className='sbody';li.appendChild(b);try{builder(b)}catch(err){b.innerHTML=`<p class="hint" style="color:var(--bad)">This step could not be drawn (${esc(err.message)}). Reload the page; if it persists, use Start over.</p>`;console.error(err)}}
      steps.appendChild(li);
    };
    const sg=document.createElement('li');sg.className='subg';sg.innerHTML='<span>Sample</span>';steps.appendChild(sg);
    SAMPLE_SUBS.forEach(sub=>{const key=`${m.id}:${sub}`;stepLi(key,SUB[sub],()=>SUB[sub].answer(P,m)+(sub==='energy'?beamClashes(m).map(x=>clashNote(`Technique ${x.i+1}: ${x.t}`)).join(''):''),'',b=>BUILD[sub](b,m,P,key))});