📊 Dataset Summary Report

Plasma Amino-Acid Profile
in Celiac Disease — S1 Table

Comprehensive inspection of S1 Table.csv from the study "Altered peripheral amino acid profile indicate a systemic impact of active celiac disease and a possible role of amino acids in disease pathogenesis." This report covers participant demographics, blood variables, diagnostic labels, missing-data levels, repeated-measurement status, and group comparisons.

275 Participants 23 Amino Acids CSV Format · Wide Matrix

01 — At a Glance

👤

275

Independent Participants

Each row = one unique patient

🧪

Blood Variables (Amino Acids)

Plasma concentrations in µmol/L

🏷️

Diagnostic Labels

CASE · CONTROL · AutoIm · TDC

📂

CSV

File Format

31 columns · 275 data rows

🔍

Missing Amino Acid Data

All 23 × 275 values complete

🔁

Repeated Measurements

Cross-sectional design

02 — File Format & Structure

📄 S1 Table.csv — File Overview

Filename

S1 Table.csv

Format

CSV (comma-separated values)

Encoding

UTF-8

Line Endings

CRLF (Windows)

Total Rows

276 (1 header + 275 data)

Total Columns

31 (8 meta + 23 amino acids)

File Size

~41 KB

Companion file

S1 Table.xlsx (same data)

📄 Column Schema

Column	Type	Description	Values / Range
Patient	Integer	Unique patient identifier	1 – 275
Batch	Integer	Primary analytical measurement batch	1, 2, 3, 4, 5, 6, 7, 8
Batch2	Integer	Secondary batch grouping	1, 2
Ageatdiagnosis	Float	Patient age at diagnosis (years)	1.4 – 18.3
Sex	Integer	Sex numeric code	1=F, 2=M
F.Female.M.Male	String	Sex text label	F / M
diagnosis	String	Diagnosis numeric code	1=CONTROL, 2=CASE, #NULL!
DIAGNOSIStext	String	Diagnosis text label	CASE, CONTROL, AutoIm, TDC
… 23 amino acid columns (all Float, µmol/L): Alanine, Arginine, Asparagine, AsparticAcid, Citrulline, Cystine, Glutamicacid, Glutamine, Glycine, Histidine, Isoleucine, Leucine, Lysine, Methionine, Ornithine, Phenylalanine, Proline, Serine, Taurine, Threonine, Tryptophane, Tyrosine, Valine …

03 — Participants

👥 Demographics

Total participants

275 (all unique IDs)

Female

175 (63.6 %)

Male

100 (36.4 %)

Age range

1.4 – 18.3 years

Age mean ± SD

9.4 ± 5.0 years

Age median

9.6 years

Female (63.6 %)Male (36.4 %)

04 — Diagnostic Labels

🏷️ Label Distribution (n = 275)

CASE

141 (51.3 %)

CONTROL

129 (46.9 %)

TDC (typically developing children)

3 (1.1 %)

AutoIm (autoimmune disorder)

2 (0.7 %)

Label	Numeric code	n	%	Description
CASE	2	141	51.3 %	Active celiac disease (new diagnosis, on gluten diet)
CONTROL	1	129	46.9 %	Healthy matched controls
TDC	#NULL!	3	1.1 %	Typically developing children (unlabelled in numeric field)
AutoIm	#NULL!	2	0.7 %	Autoimmune disorder other than celiac (unlabelled)

⚠️

5 patients have #NULL! in the numeric diagnosis column (2 AutoIm + 3 TDC). They carry the text label in DIAGNOSIStext only and are typically excluded from the primary CASE vs. CONTROL analysis.

05 — Blood Variables

🧬 23 Plasma Amino Acids (µmol/L)

Green pills = significantly different between CASE and CONTROL (FDR-adjusted Mann-Whitney, α = 0.05). Grey pills = not significant.

✓ Significant (FDR) – Not significant

AlanineArginineAsparagine Aspartic AcidCitrullineCystine Glutamic AcidGlutamineGlycine HistidineIsoleucineLeucine LysineMethionineOrnithine PhenylalanineProlineSerine TaurineThreonineTryptophane TyrosineValine

✓ 14 significant | – 9 not significant

06 — Missing Data

🔍 Missing-Data Assessment

✅

Zero missing values in all 23 amino acid columns. All 6,325 amino acid measurements (275 patients × 23 variables) are present and numeric.

⚠️

5 missing diagnosis codes — The diagnosis column contains #NULL! for 5 participants (2 AutoIm + 3 TDC). No other columns contain NaN or #NULL!.

Total amino-acid cells

6,325 (275 × 23)

Missing amino-acid cells

0 (0.0 %)

Missing diagnosis (numeric)

5 / 275 (1.8 %)

Overall missingness

< 0.1 % (diagnosis only)

07 — Repeated Measurements

🔁 Measurement Design

✅

No repeated measurements detected. Every Patient ID (1–275) appears exactly once. This is a cross-sectional study; no longitudinal follow-up or paired before/after design.

Unique Patient IDs

275

Total data rows

275

Max observations/patient

Study design

Cross-sectional

08 — Analysis-Ready Matrix

📊 Is a Patient-by-Feature Matrix Available?

✅

Yes — the dataset is already in wide (patient-by-feature) format. Each row = one patient, each column = one feature. The 23 amino acid columns are fully numeric and complete. Subsetting rows by DIAGNOSIStext immediately yields analysis-ready matrices for CASE (n=141) and CONTROL (n=129).

Format

Wide (patient × feature)

Shape

275 rows × 23 AA columns

CASE subset

141 rows

CONTROL subset

129 rows

Batch covariates

Batch (8 levels), Batch2 (2 levels)

Additional reshaping needed?

09 — Batch Information

🔮 Analytical Measurement Batches

Batch	n Participants	% of total
1	37	13.5 %
2	42	15.3 %
3	43	15.6 %
4	41	14.9 %
5	32	11.6 %
6	2	0.7 %
7	34	12.4 %
8	44	16.0 %

Batch2 collapses into two super-batches: Batch2=1 (n=174) and Batch2=2 (n=101). Batch should be considered a potential confound in regression / mixed models.

10 — CASE vs. CONTROL: Amino Acid Comparison

📈 Mann-Whitney U Test with Benjamini-Hochberg FDR Correction

Medians in µmol/L. Fold change = CASE median / CONTROL median. Significance: adjusted p < 0.05.

Amino Acid	CASE median	CTRL median	Fold Change	Direction	p (raw)	p (FDR adj.)	Significant?
Isoleucine	47.6	57.6	0.826	↓ CASE	<0.001	<0.001	✓ Yes
Lysine	109.7	122.4	0.896	↓ CASE	<0.001	<0.001	✓ Yes
Citrulline	117.0	136.1	0.860	↓ CASE	<0.001	<0.001	✓ Yes
Leucine	111.3	128.4	0.867	↓ CASE	<0.001	<0.001	✓ Yes
Threonine	79.0	90.0	0.878	↓ CASE	<0.001	0.0004	✓ Yes
Valine	178.8	194.7	0.918	↓ CASE	0.0002	0.0006	✓ Yes
Phenylalanine	41.8	45.2	0.925	↓ CASE	0.0001	0.0001	✓ Yes
Asparagine	46.8	49.9	0.938	↓ CASE	0.0003	0.0007	✓ Yes
Glutamine	495.4	527.3	0.940	↓ CASE	0.0015	0.0039	✓ Yes
Arginine	33.0	38.8	0.851	↓ CASE	0.0022	0.0051	✓ Yes
Methionine	14.8	16.2	0.914	↓ CASE	0.0027	0.0056	✓ Yes
Alanine	258.6	288.1	0.898	↓ CASE	0.0055	0.0105	✓ Yes
Proline	134.4	146.9	0.915	↓ CASE	0.0101	0.0178	✓ Yes
Serine	127.1	133.9	0.949	↓ CASE	0.0292	0.0479	✓ Yes
Ornithine	65.5	72.5	0.903	↓ CASE	0.0450	0.0689	– No
Histidine	98.2	101.6	0.967	↓ CASE	0.0484	0.0696	– No
Tyrosine	58.1	60.2	0.965	↓ CASE	0.0772	0.1045	– No
Tryptophane	44.3	42.2	1.050	↑ CASE	0.1853	0.2367	– No
Cystine	8.4	7.4	1.135	↑ CASE	0.3400	0.4116	– No
Glutamic Acid	92.0	90.4	1.018	↑ CASE	0.3977	0.4574	– No
Taurine	66.2	72.2	0.917	↓ CASE	0.6504	0.7123	– No
Glycine	203.6	198.6	1.025	↑ CASE	0.9502	0.9934	– No
Aspartic Acid	6.7	7.0	0.957	↓ CASE	0.9944	0.9944	– No

Note: All 14 significant amino acids are lower in CASE vs. CONTROL, indicating systemic amino acid depletion in active celiac disease.

11 — Descriptive Statistics (All Participants)

📉 Overall Amino Acid Summary (µmol/L, n=275)

Amino Acid	Mean	SD	Median	Min	Max	CASE mean	CTRL mean
Alanine	280.1	69.0	277.7	146.3	608.9	273.1	288.2
Arginine	37.1	14.9	35.1	8.7	88.2	34.4	40.1
Asparagine	50.2	10.6	48.5	25.3	126.7	48.5	52.0
Aspartic Acid	7.7	4.6	6.9	2.3	46.2	7.7	7.7
Citrulline	133.4	37.8	124.9	70.4	373.3	122.6	145.8
Cystine	11.7	7.9	8.1	2.0	33.1	12.3	11.2
Glutamic Acid	97.6	46.1	92.0	27.3	401.5	99.9	94.8
Glutamine	510.6	88.0	516.6	140.7	865.1	497.4	525.1
Glycine	205.8	46.2	201.4	106.6	394.9	205.8	206.0
Histidine	101.8	14.9	100.1	69.7	223.6	100.6	103.1
Isoleucine	53.8	14.0	51.7	31.4	119.1	49.7	58.4
Leucine	120.3	26.5	118.2	68.0	245.8	113.9	127.4
Lysine	116.3	21.4	115.7	66.0	266.0	111.2	121.7
Methionine	15.6	3.8	15.2	6.3	42.1	15.2	16.1
Ornithine	73.1	23.4	70.4	29.7	182.6	71.4	74.9
Phenylalanine	44.5	8.3	43.0	28.9	100.7	42.9	46.3
Proline	149.8	42.6	142.4	81.6	370.7	145.1	156.0
Serine	133.4	25.4	130.3	61.2	258.6	130.8	136.4
Taurine	79.2	36.6	69.8	27.3	261.9	79.5	79.2
Threonine	87.9	22.8	85.6	39.7	164.3	83.1	93.3
Tryptophane	43.4	11.5	42.7	12.2	86.4	44.6	42.3
Tyrosine	60.6	12.8	58.8	29.8	122.1	59.7	61.9
Valine	185.6	24.7	184.5	120.1	299.9	181.5	190.6

12 — Summary Checklist (require.md)

✅ All Required Questions Answered

Question	Answer
Number of independent participants	275 — each Patient ID is unique; one row per participant.
Available blood variables	23 plasma amino acids: Alanine, Arginine, Asparagine, Aspartic Acid, Citrulline, Cystine, Glutamic Acid, Glutamine, Glycine, Histidine, Isoleucine, Leucine, Lysine, Methionine, Ornithine, Phenylalanine, Proline, Serine, Taurine, Threonine, Tryptophane, Tyrosine, Valine. All in µmol/L.
Diagnostic labels	4 labels — CASE (n=141, active celiac disease), CONTROL (n=129, healthy), AutoIm (n=2, other autoimmune), TDC (n=3, typically developing children). 5 patients have `#NULL!` in numeric code.
File format	CSV (comma-separated, UTF-8, CRLF, ~41 KB). Companion `.xlsx` also available.
Missing-data levels	0% missing in amino acid columns (6,325/6,325 values complete). 5/275 patients (1.8%) have missing diagnosis numeric code (`#NULL!`) only.
Repeated measurements	No — cross-sectional; each Patient ID appears exactly once; max observations per patient = 1.
Analysis-ready patient-by-feature matrix	Yes — data is already in wide format (275 rows × 23 AA columns). No reshaping needed. Immediately usable for ML/statistical analyses after filtering by diagnosis label.