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Fix accidentally found errors in experiments #436

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Fix accidentally found errors in experiments #436

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4e6b5d2
Fix acidential POPC->PAPC replacement back to POPC.
comcon1 Jun 22, 2026
61121a0
fix(SD5PC): mixed sn1/sn2 data was purified acrd to Fig.13
comcon1 Jun 26, 2026
2056708
Add all 3 protons of CH3 group to SDPC OP experiment.
comcon1 Jul 12, 2026
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8 changes: 7 additions & 1 deletion experiments/OrderParameters/10.1021/ja029029o/1/SDPC_OrderParameters.json
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Original file line number Diff line number Diff line change
Expand Up @@ -190,5 +190,11 @@
],
"M_G2C23_M M_G2C23H1_M": [
[-0.008, 0.0017]
],
"M_G2C23_M M_G2C23H2_M": [
[-0.008, 0.0017]
],
"M_G2C23_M M_G2C23H3_M": [
[-0.008, 0.0017]
]
}
}
35 changes: 1 addition & 34 deletions experiments/OrderParameters/10.1021/ja029029o/2/SD5PC_OrderParameters.json
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"M_G2C3_M M_G2C3H1_M": [
[-0.115, 0.023]
[-0.084, 0.0168]
],
"M_G2C3_M M_G2C3H2_M": [
[-0.084, 0.0168]
Expand All @@ -14,15 +14,9 @@
"M_G2C5_M M_G2C5H1_M": [
[-0.057, 0.0114]
],
"M_G2C5_M M_G2C5H2_M": [
[-0.215, 0.02]
],
"M_G2C6_M M_G2C6H1_M": [
[-0.03, 0.0061]
],
"M_G2C6_M M_G2C6H2_M": [
[-0.211, 0.02]
],
"M_G2C7_M M_G2C7H1_M": [
[-0.013, 0.0026]
],
Expand All @@ -32,15 +26,9 @@
"M_G2C8_M M_G2C8H1_M": [
[-0.039, 0.0078]
],
"M_G2C8_M M_G2C8H2_M": [
[-0.202, 0.02]
],
"M_G2C9_M M_G2C9H1_M": [
[-0.016, 0.0032]
],
"M_G2C9_M M_G2C9H2_M": [
[-0.194, 0.02]
],
"M_G2C10_M M_G2C10H1_M": [
[-0.013, 0.0027]
],
Expand All @@ -50,15 +38,9 @@
"M_G2C11_M M_G2C11H1_M": [
[-0.037, 0.0075]
],
"M_G2C11_M M_G2C11H2_M": [
[-0.176, 0.02]
],
"M_G2C12_M M_G2C12H1_M": [
[-0.037, 0.0075]
],
"M_G2C12_M M_G2C12H2_M": [
[-0.155, 0.02]
],
"M_G2C13_M M_G2C13H1_M": [
[-0.013, 0.0027]
],
Expand All @@ -68,15 +50,9 @@
"M_G2C14_M M_G2C14H1_M": [
[-0.032, 0.0063]
],
"M_G2C14_M M_G2C14H2_M": [
[-0.122, 0.02]
],
"M_G2C15_M M_G2C15H1_M": [
[-0.006, 0.0012]
],
"M_G2C15_M M_G2C15H2_M": [
[-0.109, 0.02]
],
"M_G2C16_M M_G2C16H1_M": [
[-0.013, 0.0027]
],
Expand All @@ -86,24 +62,15 @@
"M_G2C17_M M_G2C17H1_M": [
[-0.01, 0.0021]
],
"M_G2C17_M M_G2C17H2_M": [
[-0.077, 0.02]
],
"M_G2C18_M M_G2C18H1_M": [
[-0.006, 0.0013]
],
"M_G2C18_M M_G2C18H2_M": [
[-0.058, 0.02]
],
"M_G2C19_M M_G2C19H1_M": [
[-0.028, 0.0056]
],
"M_G2C19_M M_G2C19H2_M": [
[-0.028, 0.0056]
],
"M_G2C19_M M_G2C19H3_M": [
[-0.017, 0.02]
],
"M_G2C20_M M_G2C20H1_M": [
[-0.041, 0.0083]
],
Expand Down
6 changes: 3 additions & 3 deletions experiments/OrderParameters/10.1039/c2cp42738a/1/README.yaml
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Original file line number Diff line number Diff line change
@@ -1,15 +1,15 @@
ARTICLE_DOI: 10.1039/c2cp42738a
TEMPERATURE: 298
MEMBRANE_COMPOSITION:
PAPC: 1.0
POPC: 1.0
SOLUTION_COMPOSITION:
ADDITIONAL_MOLECULES:
TRIS: "20 mM"
TOTAL_HYDRATION: 50
PH: 7.5
PH_METHOD: buffer
REAGENT_SOURCES: |
Phosphatidylcholine lipids with arachidonoyl chains were synthesized and selectively deuterated.
Phosphatidylcholine lipids with oleoyl chains were synthesized and selectively deuterated.
SAMPLE_PROTOCOL: |
Lipids were hydrated in buffer containing 20 mM Tris (pH 7.5)
to approximately 50 wt% hydration, forming bilayer dispersions.
Expand All @@ -19,7 +19,7 @@ TOTAL_HYDRATION: UNKNOWN
PH: UNKNOWN
PH_METHOD: UNKNOWN
REAGENT_SOURCES:
POPC: Avanti Polar Lipids, Birmingham, AL, USA
PAPC: Avanti Polar Lipids, Birmingham, AL, USA
H2O: UNKNOWN
SAMPLE_PROTOCOL: |
Lipid samples were prepared by dissolving in organic solvent followed by
Expand Down
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