diff --git a/gui/tests/env.js b/gui/tests/env.js index bb7c2061a3ca797aab88405bd9c5ed32966b7257..bd589ed6ccc12f6f2adb23e3024c458562f90ad0 100644 --- a/gui/tests/env.js +++ b/gui/tests/env.js @@ -2929,6 +2929,7 @@ window.nomadEnv = { "scale": "linear" }, { + "title": "Reactants", "type": "terms", "layout": { "lg": { @@ -2977,6 +2978,7 @@ window.nomadEnv = { "showinput": true }, { + "title": "Reaction Name", "type": "terms", "layout": { "lg": { @@ -3025,6 +3027,7 @@ window.nomadEnv = { "showinput": true }, { + "title": "Products", "type": "terms", "layout": { "lg": { @@ -3169,6 +3172,7 @@ window.nomadEnv = { "showinput": true }, { + "title": "Reaction Weight Hourly Space Velocity", "type": "histogram", "layout": { "lg": { @@ -3213,6 +3217,7 @@ window.nomadEnv = { } }, "x": { + "unit": "ml/(g*s)", "quantity": "results.properties.catalytic.reaction.weight_hourly_space_velocity" }, "scale": "linear", @@ -3221,6 +3226,7 @@ window.nomadEnv = { "nbins": 30 }, { + "title": "Reactant feed concentration vs. Temperature", "type": "scatterplot", "layout": { "lg": { @@ -3280,6 +3286,7 @@ window.nomadEnv = { "autorange": true }, { + "title": "Reaction Pressure", "type": "histogram", "layout": { "lg": { @@ -3324,6 +3331,7 @@ window.nomadEnv = { } }, "x": { + "unit": "bar", "quantity": "results.properties.catalytic.reaction.pressure" }, "scale": "linear", @@ -3332,6 +3340,7 @@ window.nomadEnv = { "nbins": 30 }, { + "title": "Temperature vs. Conversion", "type": "scatterplot", "layout": { "lg": { @@ -3391,6 +3400,7 @@ window.nomadEnv = { "autorange": true }, { + "title": "Temperature vs. Selectivity", "type": "scatterplot", "layout": { "lg": { @@ -3570,6 +3580,7 @@ window.nomadEnv = { "autorange": true }, { + "title": "Catalyst Surface Area", "type": "histogram", "layout": { "lg": { @@ -3614,6 +3625,7 @@ window.nomadEnv = { } }, "x": { + "unit": "m^2/g", "quantity": "results.properties.catalytic.catalyst_characterization.surface_area" }, "scale": "1/4", diff --git a/nomad/config/defaults.yaml b/nomad/config/defaults.yaml index 000b4ffc685249767b5e5abbeec75ba9f0540708..78dd3efc36b4e63bc3e91253aa7763915a753f90 100644 --- a/nomad/config/defaults.yaml +++ b/nomad/config/defaults.yaml @@ -1679,6 +1679,7 @@ ui: sm: {h: 4, minH: 4, minW: 3, w: 4, x: 4, y: 0} xl: {h: 6, minH: 3, minW: 3, w: 8, x: 8, y: 0} xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 8, y: 0} + title: 'Reactants' quantity: results.properties.catalytic.reaction.reactants.name scale: linear showinput: true @@ -1689,6 +1690,7 @@ ui: sm: {h: 4, minH: 3, minW: 3, w: 4, x: 0, y: 0} xl: {h: 6, minH: 3, minW: 3, w: 8, x: 0, y: 0} xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 0, y: 0} + title: 'Reaction Name' quantity: results.properties.catalytic.reaction.name scale: linear showinput: true @@ -1699,6 +1701,7 @@ ui: sm: {h: 4, minH: 3, minW: 3, w: 4, x: 8, y: 0} xl: {h: 6, minH: 3, minW: 3, w: 8, x: 16, y: 0} xxl: {h: 6, minH: 3, minW: 3, w: 8, x: 16, y: 0} + title: 'Products' quantity: results.properties.catalytic.reaction.products.name scale: linear showinput: true @@ -1731,7 +1734,10 @@ ui: xl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 20} xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 20} nbins: 30 - quantity: results.properties.catalytic.reaction.weight_hourly_space_velocity + x: + quantity: results.properties.catalytic.reaction.weight_hourly_space_velocity + unit: 'ml/(g*s)' + title: 'Reaction Weight Hourly Space Velocity' scale: linear showinput: false type: histogram @@ -1751,6 +1757,7 @@ ui: title: 'gas concentration (%)' y: quantity: results.properties.catalytic.reaction.temperature + title: 'Reactant feed concentration vs. Temperature' type: scatterplot - autorange: false layout: @@ -1760,7 +1767,10 @@ ui: xl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 16} xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 12, y: 16} nbins: 30 - quantity: results.properties.catalytic.reaction.pressure + x: + quantity: results.properties.catalytic.reaction.pressure + unit: 'bar' + title: 'Reaction Pressure' scale: linear showinput: false type: histogram @@ -1775,6 +1785,7 @@ ui: color: quantity: results.properties.catalytic.reaction.reactants[*].name size: 1000 + title: 'Temperature vs. Conversion' type: scatterplot x: quantity: results.properties.catalytic.reaction.temperature @@ -1792,6 +1803,7 @@ ui: color: quantity: results.properties.catalytic.reaction.products[*].name size: 1000 + title: 'Temperature vs. Selectivity' type: scatterplot x: quantity: results.properties.catalytic.reaction.temperature @@ -1842,7 +1854,10 @@ ui: xl: {h: 4, minH: 3, minW: 8, w: 12, x: 0, y: 42} xxl: {h: 4, minH: 3, minW: 8, w: 12, x: 0, y: 42} nbins: 30 - quantity: results.properties.catalytic.catalyst_characterization.surface_area + x: + quantity: results.properties.catalytic.catalyst_characterization.surface_area + unit: 'm^2/g' + title: 'Catalyst Surface Area' scale: 1/4 showinput: false type: histogram