2. Evaluation of records in spectrum search with ReSpect

Experimental conditions

Query
Query 8,649 records (all records in ReSpect)
Reference
Reference 8,649 records (all records in ReSpect)
Search options
Polarity corresponding to query records
m/z tolerance ± 0.3
Definition of acceptable match
Score 0.9 and over
Rank Top 10
A. Statistics of acceptable matched records
Total 6,085 records
Data sets
Literature data 1,357 records
Q-TOF/MS data 906 records
QqQ/MS data 3,822 records
Data type[Help]
Adjusted data 0 records
Single fragment spectra 0 records
One major fragment spectra 0 records
Polarity
Positive 3,682 records
Negative 2,403 records
B. Statistics of mismatched records
Total 2,564 records
Data sets
Literature data 1,984 records
Q-TOF/MS data 144 records
QqQ/MS data 436 records
Data type[Help]
Adjusted data 1,767 records
Single fragment spectra 693 records
One major fragment spectra 529 records
Polarity
Positive 1,254 records
Negative 1,310 records
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Table. Acceptable matches and fragment ions in a record
A. Number of fragment ions in a record B. Number of acceptable matches
2 591
3 945
4 979
5 696
6 529
7 462
8 398
9 325
10 269
11 194
12 163
13 103
14 97
15 74
16 60
17 41
18 34
19 26
20 14
21 13
22 12
23 10
24 9
25 4
26 5
27 2
28 5
29 2
30 3
31 2
32 2
33 3
34 1
35 1
37 1
38 1
42 1
43 1
44 4
57 2
58 1
Table. Mismatches and fragment ions in a record
A. Number of fragment ions in a record B. Number of mismatches
1 693
2 657
3 498
4 259
5 139
6 109
7 56
8 44
9 50
10 16
11 12
12 8
13 9
14 1
15 1
16 2
17 4
18 3
27 1
29 1
31 1
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(A) Acceptable matches
A. Number of fragment ions in a record B. Number of acceptable matches
Total 6085
2 591
3 945
4 979
5 696
6 529
7 462
8 398
9 325
10 269
11 194
12 163
13 103
14 97
15 74
16 60
17 41
18 34
19 26
20 14
21 13
22 12
23 10
24 9
25 4
26 5
27 2
28 5
29 2
30 3
31 2
32 2
33 3
34 1
35 1
37 1
38 1
42 1
43 1
44 4
57 2
58 1
Number of fragment ions in a record
(B) Mismatches
A. Number of fragment ions in a record B. Number of mismatches
Total 2564
1 693
2 657
3 498
4 259
5 139
6 109
7 56
8 44
9 50
10 16
11 12
12 8
13 9
14 1
15 1
16 2
17 4
18 3
27 1
29 1
31 1
Number of fragment ions in a record
Figure. Acceptable matches and mismatches with number of fragment ions
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