A modular tool to aggregate results from bioinformatics analyses across many samples into a single report.
/home/runner/work/pmultiqc/pmultiqc/data
pmultiqc
pmultiqc is a MultiQC module to show the pipeline performance of mass spectrometry based quantification pipelines such as nf-core/quantms, MaxQuant, and DIA-NN.URL: https://github.com/bigbio/pmultiqc
Experimental Design and Metadata
Experimental Design
Sample Name | BioReplicate | Fraction | TecReplicate |
---|---|---|---|
4_1_2450 | 1 | ||
1 | 1 | ||
5_1_2451 | 1 | ||
1 | 1 | ||
6_1_2452 | 1 | ||
1 | 1 |
Parameters
No. | Parameter | Value |
---|---|---|
1 | Version | 2.7.2.0 |
2 | User name | wviegener |
3 | Machine name | supercube005 |
4 | Date of writing | 08/10/2025 20:51:04 |
5 | Include contaminants | True |
6 | PSM FDR | 0.0 |
7 | PSM FDR Crosslink | 0.0 |
8 | Protein FDR | 0.0 |
9 | Site FDR | 0.0 |
10 | Use Normalized Ratios For Occupancy | True |
11 | Min. peptide Length | 7 |
12 | Min. score for unmodified peptides | 0 |
13 | Min. score for modified peptides | 40 |
14 | Min. delta score for unmodified peptides | 0 |
15 | Min. delta score for modified peptides | 6 |
16 | Min. unique peptides | 0 |
17 | Min. razor peptides | 1 |
18 | Min. peptides | 1 |
19 | Use only unmodified peptides and | True |
20 | Modifications included in protein quantification | Oxidation (M);Acetyl (Protein N-term) |
21 | Peptides used for protein quantification | Razor |
22 | Discard unmodified counterpart peptides | True |
23 | Label min. ratio count | 2 |
24 | Use delta score | False |
25 | iBAQ | False |
26 | iBAQ log fit | False |
27 | Match between runs | False |
28 | Find dependent peptides | False |
29 | Fasta file | UP000005640_9606.fasta;UP000005640_9606_additional.fasta;UP000006548_3702.fasta;UP000006548_3702_additional.fasta |
30 | Decoy mode | revert |
31 | Advanced ratios | True |
32 | Fixed andromeda index folder | nan |
33 | Second peptides | True |
34 | Stabilize large LFQ ratios | True |
35 | Separate LFQ in parameter groups | False |
36 | Require MS/MS for LFQ comparisons | True |
37 | Calculate peak properties | False |
38 | Main search max. combinations | 200 |
39 | Advanced site intensities | True |
40 | Write msScans table | False |
41 | Write msmsScans table | True |
42 | Write ms3Scans table | True |
43 | Write allPeptides table | False |
44 | Write mzRange table | True |
45 | Write DIA fragments table | False |
46 | Write DIA fragments quant table | False |
47 | Write pasefMsmsScans table | True |
48 | Write accumulatedMsmsScans table | True |
49 | Max. peptide mass [Da] | 4600 |
50 | Min. peptide length for unspecific search | 8 |
51 | Max. peptide length for unspecific search | 25 |
52 | Razor protein FDR | True |
53 | Disable MD5 | False |
54 | Max mods in site table | 3 |
55 | Match unidentified features | False |
56 | Epsilon score for mutations | True |
57 | Evaluate variant peptides separately | True |
58 | Variation mode | nan |
59 | MS/MS tol. (FTMS) | 20 ppm |
60 | Top MS/MS peaks per Da interval. (FTMS) | 12 |
61 | Da interval. (FTMS) | 100 |
62 | MS/MS deisotoping (FTMS) | True |
63 | MS/MS deisotoping tolerance (FTMS) | 7 |
64 | MS/MS deisotoping tolerance unit (FTMS) | ppm |
65 | MS/MS higher charges (FTMS) | True |
66 | MS/MS water loss (FTMS) | True |
67 | MS/MS water loss (FTMS for cross link) | False |
68 | MS/MS ammonia loss (FTMS) | True |
69 | MS/MS ammonia loss (FTMS for cross link) | False |
70 | MS/MS dependent losses (FTMS) | True |
71 | MS/MS recalibration (FTMS) | False |
72 | MS/MS tol. (ITMS) | 0.5 Da |
73 | Top MS/MS peaks per Da interval. (ITMS) | 8 |
74 | Da interval. (ITMS) | 100 |
75 | MS/MS deisotoping (ITMS) | False |
76 | MS/MS deisotoping tolerance (ITMS) | 0.1 |
77 | MS/MS deisotoping tolerance unit (ITMS) | Da |
78 | MS/MS higher charges (ITMS) | True |
79 | MS/MS water loss (ITMS) | True |
80 | MS/MS water loss (ITMS for cross link) | False |
81 | MS/MS ammonia loss (ITMS) | True |
82 | MS/MS ammonia loss (ITMS for cross link) | False |
83 | MS/MS dependent losses (ITMS) | True |
84 | MS/MS recalibration (ITMS) | False |
85 | MS/MS tol. (TOF) | 25 ppm |
86 | Top MS/MS peaks per Da interval. (TOF) | 16 |
87 | Da interval. (TOF) | 100 |
88 | MS/MS deisotoping (TOF) | True |
89 | MS/MS deisotoping tolerance (TOF) | 0.0 |
90 | MS/MS deisotoping tolerance unit (TOF) | Da |
91 | MS/MS higher charges (TOF) | True |
92 | MS/MS water loss (TOF) | True |
93 | MS/MS water loss (TOF for cross link) | False |
94 | MS/MS ammonia loss (TOF) | True |
95 | MS/MS ammonia loss (TOF for cross link) | False |
96 | MS/MS dependent losses (TOF) | True |
97 | MS/MS recalibration (TOF) | False |
98 | MS/MS tol. (ASTRAL) | 25 ppm |
99 | Top MS/MS peaks per Da interval. (ASTRAL) | 16 |
100 | Da interval. (ASTRAL) | 100 |
101 | MS/MS deisotoping (ASTRAL) | True |
102 | MS/MS deisotoping tolerance (ASTRAL) | 0.0 |
103 | MS/MS deisotoping tolerance unit (ASTRAL) | Da |
104 | MS/MS higher charges (ASTRAL) | True |
105 | MS/MS water loss (ASTRAL) | True |
106 | MS/MS water loss (ASTRAL for cross link) | False |
107 | MS/MS ammonia loss (ASTRAL) | True |
108 | MS/MS ammonia loss (ASTRAL for cross link) | False |
109 | MS/MS dependent losses (ASTRAL) | True |
110 | MS/MS recalibration (ASTRAL) | False |
111 | MS/MS tol. (UNKNOWN) | 20 ppm |
112 | Top MS/MS peaks per Da interval. (UNKNOWN) | 12 |
113 | Da interval. (UNKNOWN) | 100 |
114 | MS/MS deisotoping (UNKNOWN) | True |
115 | MS/MS deisotoping tolerance (UNKNOWN) | 7 |
116 | MS/MS deisotoping tolerance unit (UNKNOWN) | ppm |
117 | MS/MS higher charges (UNKNOWN) | True |
118 | MS/MS water loss (UNKNOWN) | True |
119 | MS/MS water loss (UNKNOWN for cross link) | False |
120 | MS/MS ammonia loss (UNKNOWN) | True |
121 | MS/MS ammonia loss (UNKNOWN for cross link) | False |
122 | MS/MS dependent losses (UNKNOWN) | True |
123 | MS/MS recalibration (UNKNOWN) | False |
124 | Site tables | nan |
Identification Summary
Number of Peptides identified Per Protein
ProteinGroups Count
Peptide ID Count
Contaminants
Top5 Contaminants Per Raw File
Potential Contaminants Per File
Quantification Analysis
Intensity Distribution
LFQ Intensity Distribution
Peptide Intensity Distribution
PCA of Raw Intensity
PCA of LFQ Intensity
Peptides Quantification Table
PeptideID | Protein Name | Peptide Sequence | Best Search Score | Average Intensity |
---|---|---|---|---|
1 | P36578;H3BM89;H3BU31 | AAAAAAALQAK | 161.1800 | 4.4932 |
2 | Q8WUQ7-2;Q8WUQ7 | AAAAALSQQQSLQER | 63.7890 | 2.4939 |
3 | A0A182DWI4;E9PN30;Q9BQE4 | AAAAVEPDVVVK | 84.0580 | 2.6657 |
4 | Q8WWH5 | AAAAVVAAAAR | 47.1370 | 2.5108 |
5 | O95159 | AAADSDPNLDPLMNPHIR | 80.8750 | 2.4607 |
6 | Q6P2E9;Q6P2E9-2;I3L2F4 | AAADTLQGPMQAAYR | 80.8820 | 3.2962 |
7 | E9PQY2;Q9NQP4 | AAAEDVNVTFEDQQK | 104.5400 | 3.4109 |
8 | O15357 | AAAEELLAR | 63.7880 | 3.3416 |
9 | P30260;P30260-2 | AAAEGLMSLLR | 88.8620 | 3.2454 |
10 | Q01780;Q01780-2 | AAAEQAISVR | 136.0100 | 3.1720 |
11 | A0A8V8TLM6;P02786;A0A8V8TM41;G3V0E5;A0A8V8TLN0;A0A8V8TM46;A0A8V8TN37 | AAAEVAGQFVIK | 125.8900 | 3.8313 |
12 | P07954-2;P07954;A0A804HI24;A0A804HKE6 | AAAEVNQDYGLDPK | 156.2100 | 3.7888 |
13 | Q9Y490 | AAAFEEQENETVVVK | 101.9600 | 3.1901 |
14 | O94826 | AAAFEQLQK | 125.8900 | 3.6887 |
15 | Q96L58 | AAAFLAVLVASAPR | 60.0260 | 2.3909 |
16 | Q9H9Y2;X6R7Q1 | AAAFPPGFSISEIK | 56.6810 | 2.8300 |
17 | Q9BQG0;Q9BQG0-2;I3L1L3 | AAAFQHLLLLVGIHLLK | 116.3400 | 3.2287 |
18 | Q96S52;K7EN97 | AAAGAAATHLEVAR | 60.1310 | 2.8166 |
19 | P35221-2;P35221;G3XAM7;E5RIB1;E5RG03;E5RGY6;E5RJ41;E5RHV7 | AAAGEFADDPCSSVK | 91.0600 | 3.2960 |
20 | Q96C19;H0Y4Y4 | AAAGELQEDSGLCVLAR | 123.9300 | 3.6631 |
21 | Q9H3U1;A0A1W2PNX8;Q9H3U1-2;Q9H3U1-3 | AAAGGLAMLTSMR | 131.8900 | 3.4807 |
22 | G5EA36;I3L328 | AAAGLMSLLR | 78.2960 | 3.1183 |
23 | A0A0G2JIW1;P0DMV9;P0DMV8;P0DMV8-2;V9GZ37 | AAAIGIDLGTTYSCVGVFQHGK | 131.8800 | 3.7363 |
24 | Q8TAE8 | AAALAAAVAQDPAASGAPSS | 81.0880 | 3.0420 |
25 | Q8IYS1 | AAALASGCTVEIK | 138.1200 | 3.4165 |
26 | A0A8I5QKQ8;O15269;A0A8I5KUM4;A0A2R8Y4S0;A0A2R8Y6A2;O15269-2 | AAALASLKK | 64.9040 | 2.4581 |
27 | Q14008;Q14008-3;Q14008-2 | AAALATVNAWAEQTGMK | 103.8000 | 2.9852 |
28 | Q8N0Z6 | AAALDPAWPEPR | 81.1860 | 2.8836 |
29 | P31948;P31948-2;P31948-3;H0YGI8 | AAALEAMK | 79.2700 | 3.0417 |
30 | P31948;P31948-2;P31948-3;H0YGI8 | AAALEAMKDYTK | 111.9800 | 3.1725 |
31 | P31948;P31948-2;F5H783;F5GXD8 | AAALEFLNR | 146.8700 | 4.2265 |
32 | P31948;P31948-2;F5H783;F5GXD8 | AAALEFLNRFEEAK | 100.9500 | 3.1519 |
33 | Q13423;A0A590UJM2;A0A590UK29;E9PCX7;A0A590UJI3 | AAALEQFK | 81.4080 | 3.1788 |
34 | Q13470;Q13470-2;I3L334 | AAALSGGLLSDPELQR | 62.9320 | 2.7468 |
35 | O60716;O60716-21;O60716-10;O60716-9;O60716-13;O60716-2;O60716-3;C9JZR2;A0A669KB05;O60716-11;H0YC95;O60716-19;O60716-5;O60716-17;O60716-18;A0A669KB62;O60716-8;O60716-7;O60716-14;O60716-6;O60716-24;O60716-12;O60716-23;O60716-4;O60716-15;O60716-16;O60716-20;O60716-22;O60716-26;O60716-29;O60716-25;O60716-27;O60716-30;O60716-28;O60716-31;O60716-32;A0A804HK15;A0A804HIL4 | AAALVLQTIWGYK | 153.8000 | 3.5405 |
36 | A0A3B3IRK3;A0A8V8TQQ2;A0A8V8TQP7;H7C5F7;A0A8V8TQ43;A0A8V8TRG3;B4DGY6;A0A8V8TQN7;A0A8V8TRH3;A0A0C4DGW0;A0A8V8TQN2;A0A8V8TQM3;Q9NV92 | AAAMAAAAAETSQR | 83.7650 | 2.8485 |
37 | Q14498-2;Q14498;Q14498-3;G3XAC6;A0A0U1RQH7;H0Y4X3 | AAAMANNLQK | 85.7110 | 3.3252 |
38 | A0A8J9AUI2;Q15042;Q15042-4 | AAAMTPPEEELKR | 43.6000 | 2.9106 |
39 | C9JRZ6;Q9NX63;A0A286YEX5;F8WAR4 | AAANEQLTR | 84.2000 | 2.7965 |
40 | A0A286YFD6;P31350;P31350-2;A0A7P0SBL1 | AAAPGVEDEPLLR | 74.4660 | 3.6212 |
41 | P53618;E9PP73 | AAAQCYIDLIIK | 131.8800 | 3.4922 |
42 | D6RGI3;D6RER5;Q9NVA2;Q9NVA2-2;H0Y961;H0Y9G8 | AAAQLLQSQAQQSGAQQTK | 50.7610 | 2.4474 |
43 | O14981 | AAAQQLGEVVK | 95.5110 | 2.9890 |
44 | O95801 | AAAQYYLGNFR | 110.8600 | 3.4352 |
45 | A0A8I5QJC9;A0A8I5KY07;A0A8I5KRP1;A0A8I5KRK1;A0A8I5KYQ0;A0A8I5KZB3;Q9H2M9;A0A8I5KWJ9;A0A8I5QJG4;A0A8I5KUS2 | AAASGNENIQPPPLAYK | 69.3470 | 3.0709 |
46 | Q9P1Y5;Q9P1Y5-2 | AAASLAWVLR | 84.6830 | 2.7828 |
47 | Q5JPU2;P08559;P08559-2;P08559-4;P08559-3 | AAASTDYYK | 63.1510 | 3.1247 |
48 | Q99733;Q99733-2;C9J6D1;A8MXH2;E9PKT8;C9JZI7;H0YCI4 | AAATAEEPDPK | 109.0700 | 3.5712 |
49 | P49006 | AAATPESQEPQAK | 139.0200 | 3.6938 |
50 | P09327;B4DV78 | AAATTAQEYLK | 66.6020 | 3.3613 |
Protein Quantification Table
ProteinID | Protein Name | Number of Peptides | Average Intensity |
---|---|---|---|
1 | A0A024QZX5;A0A087X1N8;P35237;A0A2R8YD12 | 8 | 3.4630 |
2 | A0A024QZX5;A0A087X1N8;P35237;A0A2R8YD12;A0A2R8Y6A7 | 7 | 3.7022 |
3 | A0A024QZX5;A0A087X1N8;P35237;A0A2R8YD12;A0A2R8Y6A7;P50452;A0A1B0GU38;P50452-2;C9JVA8;H7BXK7;C9JTJ8 | 1 | 3.8874 |
4 | A0A024QZX5;A0A087X1N8;P35237;A0A2R8YDD0;A0A2R8Y517 | 1 | 4.1155 |
5 | A0A024R161;Q9H1X3-3;F2Z3D1;J3QR79;Q9H1X3 | 1 | 2.0759 |
6 | A0A024R161;Q9H1X3-3;P50151 | 1 | 3.0184 |
7 | A0A024R4E5;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7;C9JK79;C9JT62;C9JHN6;C9JEJ8;C9JBS3 | 1 | 3.4740 |
8 | A0A024R4E5;Q00341;H7C0A4 | 2 | 3.7892 |
9 | A0A024R4E5;Q00341;Q00341-2 | 1 | 3.4131 |
10 | A0A024R4E5;Q00341;Q00341-2;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7 | 1 | 3.1645 |
11 | A0A024R4E5;Q00341;Q00341-2;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7;C9JK79;C9JT62 | 1 | 2.9139 |
12 | A0A024R4E5;Q00341;Q00341-2;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7;C9JK79;C9JT62;C9JHN6;C9JEJ8;C9JBS3;C9JQ82 | 1 | 2.8056 |
13 | A0A024R4E5;Q00341;Q00341-2;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7;C9JK79;C9JT62;C9JHN6;C9JEJ8;C9JBS3;C9JQ82;C9JMQ6 | 2 | 3.2138 |
14 | A0A024R4E5;Q00341;Q00341-2;H0Y394 | 6 | 3.0600 |
15 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7BZC3 | 3 | 3.0777 |
16 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7BZC3;H7C2D1 | 3 | 3.0758 |
17 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C0A4 | 8 | 3.1484 |
18 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C0A4;C9JIZ1 | 1 | 3.3312 |
19 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C0A4;C9JIZ1;C9J5E5 | 1 | 3.3157 |
20 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C0A4;C9JIZ1;C9J5E5;C9JZI8 | 1 | 3.0445 |
21 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C2D1 | 1 | 3.1812 |
22 | A0A024R4E5;Q00341;Q00341-2;H0Y394;H7C3D0 | 1 | 3.3016 |
23 | A0A024R4E5;Q00341;Q00341-2;H7C0A4;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8 | 1 | 2.9099 |
24 | A0A024R4E5;Q00341;Q00341-2;H7C0A4;C9JIZ1;C9J5E5;C9JZI8;C9JES8;C9JHZ8;C9JHS7 | 2 | 3.2709 |
25 | A0A024R4E5;Q00341;Q00341-2;H7C3D0 | 1 | 2.9887 |
26 | A0A024R571;Q9H4M9 | 3 | 3.1472 |
27 | A0A024R571;Q9H4M9;C9J2Z4 | 4 | 3.2469 |
28 | A0A024R571;Q9H4M9;C9JC03;C9J2Z4 | 5 | 3.1790 |
29 | A0A024R571;Q9H4M9;C9JC03;C9J2Z4;C9JDQ8 | 5 | 3.3572 |
30 | A0A024R571;Q9H4M9;C9JC03;C9J2Z4;C9JDQ8;Q9H223 | 2 | 3.3359 |
31 | A0A024R571;Q9H4M9;C9JC03;C9JIJ3;C9IZH1 | 4 | 3.3599 |
32 | A0A024R571;Q9H4M9;C9JC03;C9JIJ3;C9IZH1;Q9NZN4 | 1 | 3.8361 |
33 | A0A024R7W5;A0A087X0Q1;A0A087WY31;Q7Z739 | 5 | 3.0699 |
34 | A0A024RA52;P25787;A0A7I2V2H3 | 4 | 3.5245 |
35 | A0A024RA52;P25787;A0A7I2V2H3;A0A7I2YQP7;C9JCK5 | 2 | 2.8563 |
36 | A0A024RA52;P25787;A0A7I2V2H3;H3BT36 | 2 | 3.8149 |
37 | A0A024RA52;P25787;A0A7I2YQP7;C9JCK5 | 2 | 3.3619 |
38 | A0A067XG54;A0A804HIW2;Q8NB49-2;Q8NB49-3;Q8NB49-4;Q8NB49 | 3 | 2.6076 |
39 | A0A075B6F9;Q9Y314 | 2 | 2.9876 |
40 | A0A075B6F9;Q9Y314;M0R3B2 | 1 | 3.0345 |
41 | A0A075B6F9;Q9Y314;M0R3B2;A0A075B797 | 1 | 3.2546 |
42 | A0A075B6F9;Q9Y314;M0R3B2;M0R1K2;A0A075B797 | 1 | 3.1492 |
43 | A0A075B6F9;Q9Y314;M0R3B2;M0R1K2;A0A075B797;M0QX85 | 1 | 3.4443 |
44 | A0A075B6F9;Q9Y314;M0R3B2;M0R1K2;M0QX85;M0R1T7 | 1 | 2.6600 |
45 | A0A075B6T1;Q9C0C7-4;Q9C0C7-2;Q9C0C7-3;Q9C0C7;Q9C0C7-5 | 3 | 3.1249 |
46 | A0A075B6T1;Q9C0C7-4;Q9C0C7-2;Q9C0C7-3;Q9C0C7;Q9C0C7-5;Q9C0C7-6 | 4 | 2.4667 |
47 | A0A075B6T4;Q9NVX7;Q9NVX7-2 | 3 | 2.7975 |
48 | A0A075B730;P58107 | 63 | 3.3030 |
49 | A0A075B730;P58107;Q15149-4;A0A8I5KUE3;A0A8I5KYZ1;E9PMV1;Q15149-7;Q15149-8;Q15149-9;Q15149-5;Q15149-6;Q15149-2;Q15149;A0A8I5KSD5;Q15149-3;H0YDN1 | 6 | 3.7537 |
50 | A0A075B763;Q8WWW0-3;Q8WWW0 | 1 | 2.4824 |