ec-sample-tracker-1.0.0 — Sample Tracker for Electrochemistry Labs

Track physical samples from synthesis through every characterization result. Connect samples to their storage locations, synthesis records, and all associated data files (LSV/CV/EIS/XRD/SEM/TEM etc.).

Usage

ec-sample-tracker <command> [options]

Commands

• add — Register a new sample
• list — List samples with filters
• status — Show sample status overview
• link — Attach data files or notes to a sample
• search — Search samples by name, tag, synthesis date, or property
• log — Log an experimental event (measurement, storage move, aging)
• export — Export sample records as CSV/JSON/Markdown
• import — Bulk import from CSV
• dashboard — Visual dashboard of sample inventory and status

Sample Record Schema

sample_id       — Auto-generated (e.g. CAT-2026-0042)
name            — Sample name/label
synthesis_date  — YYYY-MM-DD
synthesis_method — hydrothermal / electrodeposition / impregnation / sol-gel / thermal decomposition / commercial
precursors      — Comma-separated list
substrate       — GC / Ti foil / Ni foam / FTO / ITO / Carbon paper / None
catalyst_load   — mg/cm² (if applicable)
target_reaction — OER / HER / ORR / CO2RR / other
tags            — Comma-separated tags
storage_location — fridge-4 / rack-A2 / desiccator-2 / given-out
owner           — Name
notes           — Free-text notes
status          — active / degraded / given-out / disposed / lost

Link Types

• ec — LSV/CV/EIS/CP/CA files
• xrd — XRD data
• sem / tem — Electron microscopy
• raman — Raman spectra
• xps — XPS data
• photo — Sample photos
• note — Free-text notes
• protocol — Synthesis protocol PDF

Configuration (config.yaml)

lab_name: "Electrochemistry Lab"
id_prefix: "CAT"
next_id: 1
storage_locations:
  - fridge-4
  - rack-A2
  - rack-B1
  - desiccator-2
  - drawer-3
  - given-out
default_owner: "xray"
db_file: "samples.db"
data_root: "/home/xray/data"

Dashboard

Generates a 4-panel PNG dashboard:

1. Sample count by status (pie chart)
2. Samples by reaction type (bar chart)
3. Storage location distribution (bar chart)
4. Recent activity log (text table)

Examples

# Add a new sample
ec-sample-tracker add --name "NiFe-LDH/CF-2026-042" \
  --method hydrothermal --precursors "Ni(NO3)2,Fe(NO3)3" \
  --substrate "Ni foam" --load 2.1 --reaction OER \
  --tags "NiFe-LDH,hydrothermal,batch-42" \
  --storage fridge-4 --notes "Synthesized for OER stability test"

# Link characterization data
ec-sample-tracker link CAT-2026-0042 --type ec --file ~/data/oer_lsv_042.csv
ec-sample-tracker link CAT-2026-0042 --type xrd --file ~/data/xrd_042.asc

# Search samples
ec-sample-tracker search --tag NiFe-LDH --reaction OER
ec-sample-tracker search --synth-date-after 2026-03-01

# List all active samples
ec-sample-tracker list --status active

# Log an experimental event
ec-sample-tracker log CAT-2026-0042 --event "LSV cycling started" \
  --note "100 cycles in 1M KOH, 10 mA/cm²"

# Export all samples
ec-sample-tracker export --format markdown --output samples-report.md

# Generate dashboard
ec-sample-tracker dashboard --output sample-dashboard.png

Database

Uses SQLite (samples.db) with tables:

• samples — Core sample records
• links — File/note attachments
• events — Timestamped experimental events
• measurements — Quantitative measurement results (overpotential, Tafel, ECSA, etc.)

Output Files

• samples.db — SQLite database
• samples.csv — Full export
• sample-dashboard.png — Visual dashboard (300 DPI)
• sample-YYYY-MM-DD.md — Markdown report

Use Cases

• Track which samples have LSV/CV/EIS data collected
• Find all samples from a specific synthesis batch or precursor combination
• Log degradation events and link to characterization
• Generate sample inventory for lab audits or paper supplementary
• Connect synthesis records to performance metrics