mspire 0.6.26 → 0.7.2

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (132) hide show
  1. data/VERSION +1 -1
  2. data/lib/mspire.rb +1 -1
  3. data/lib/{ms → mspire}/cv.rb +1 -1
  4. data/lib/{ms → mspire}/cv/param.rb +5 -5
  5. data/lib/{ms → mspire}/cv/paramable.rb +5 -5
  6. data/lib/{ms → mspire}/digester.rb +2 -2
  7. data/lib/{ms → mspire}/error_rate/decoy.rb +1 -1
  8. data/lib/{ms → mspire}/error_rate/qvalue.rb +4 -4
  9. data/lib/{ms → mspire}/fasta.rb +5 -5
  10. data/lib/{ms → mspire}/ident.rb +10 -10
  11. data/lib/{ms → mspire}/ident/peptide.rb +3 -3
  12. data/lib/{ms → mspire}/ident/peptide/db.rb +12 -12
  13. data/lib/{ms → mspire}/ident/peptide_hit.rb +6 -6
  14. data/lib/{ms → mspire}/ident/peptide_hit/qvalue.rb +7 -7
  15. data/lib/{ms → mspire}/ident/pepxml.rb +7 -7
  16. data/lib/{ms → mspire}/ident/pepxml/modifications.rb +7 -7
  17. data/lib/{ms → mspire}/ident/pepxml/msms_pipeline_analysis.rb +6 -6
  18. data/lib/{ms → mspire}/ident/pepxml/msms_run_summary.rb +9 -9
  19. data/lib/{ms → mspire}/ident/pepxml/parameters.rb +1 -1
  20. data/lib/{ms → mspire}/ident/pepxml/sample_enzyme.rb +4 -4
  21. data/lib/{ms → mspire}/ident/pepxml/search_database.rb +5 -5
  22. data/lib/{ms → mspire}/ident/pepxml/search_hit.rb +4 -4
  23. data/lib/{ms → mspire}/ident/pepxml/search_hit/modification_info.rb +7 -7
  24. data/lib/{ms → mspire}/ident/pepxml/search_result.rb +5 -5
  25. data/lib/{ms → mspire}/ident/pepxml/search_summary.rb +12 -12
  26. data/lib/{ms → mspire}/ident/pepxml/spectrum_query.rb +7 -7
  27. data/lib/{ms → mspire}/ident/protein.rb +2 -2
  28. data/lib/{ms → mspire}/ident/protein_group.rb +2 -2
  29. data/lib/{ms → mspire}/ident/search.rb +1 -1
  30. data/lib/{ms → mspire}/isotope.rb +3 -3
  31. data/lib/{ms → mspire}/isotope/aa.rb +1 -1
  32. data/lib/{ms → mspire}/isotope/distribution.rb +17 -17
  33. data/lib/{ms → mspire}/isotope/nist_isotope_info.yml +0 -0
  34. data/lib/{ms → mspire}/mascot.rb +1 -1
  35. data/lib/{ms → mspire}/mass.rb +7 -7
  36. data/lib/{ms → mspire}/mass/aa.rb +6 -6
  37. data/lib/{ms → mspire}/molecular_formula.rb +7 -7
  38. data/lib/{ms → mspire}/mzml.rb +55 -55
  39. data/lib/{ms → mspire}/mzml/activation.rb +3 -3
  40. data/lib/{ms → mspire}/mzml/chromatogram.rb +3 -3
  41. data/lib/{ms → mspire}/mzml/chromatogram_list.rb +1 -1
  42. data/lib/{ms → mspire}/mzml/component.rb +5 -5
  43. data/lib/{ms → mspire}/mzml/contact.rb +3 -3
  44. data/lib/{ms → mspire}/mzml/cv.rb +1 -1
  45. data/lib/{ms → mspire}/mzml/data_array.rb +12 -12
  46. data/lib/{ms → mspire}/mzml/data_array_container_like.rb +7 -7
  47. data/lib/{ms → mspire}/mzml/data_processing.rb +3 -3
  48. data/lib/{ms → mspire}/mzml/file_content.rb +3 -3
  49. data/lib/{ms → mspire}/mzml/file_description.rb +4 -4
  50. data/lib/{ms → mspire}/mzml/index_list.rb +2 -2
  51. data/lib/{ms → mspire}/mzml/instrument_configuration.rb +7 -7
  52. data/lib/{ms → mspire}/mzml/isolation_window.rb +3 -3
  53. data/lib/{ms → mspire}/mzml/list.rb +1 -1
  54. data/lib/{ms → mspire}/mzml/plms1.rb +3 -3
  55. data/lib/{ms → mspire}/mzml/precursor.rb +6 -6
  56. data/lib/{ms → mspire}/mzml/processing_method.rb +3 -3
  57. data/lib/{ms → mspire}/mzml/product.rb +3 -3
  58. data/lib/{ms → mspire}/mzml/referenceable_param_group.rb +4 -4
  59. data/lib/{ms → mspire}/mzml/run.rb +3 -3
  60. data/lib/{ms → mspire}/mzml/sample.rb +5 -5
  61. data/lib/{ms → mspire}/mzml/scan.rb +4 -4
  62. data/lib/{ms → mspire}/mzml/scan_list.rb +3 -3
  63. data/lib/{ms → mspire}/mzml/scan_settings.rb +5 -5
  64. data/lib/{ms → mspire}/mzml/selected_ion.rb +5 -5
  65. data/lib/{ms → mspire}/mzml/software.rb +5 -5
  66. data/lib/{ms → mspire}/mzml/source_file.rb +5 -5
  67. data/lib/{ms → mspire}/mzml/spectrum.rb +33 -20
  68. data/lib/{ms → mspire}/mzml/spectrum_list.rb +4 -4
  69. data/lib/{ms → mspire}/obo.rb +1 -1
  70. data/lib/{ms → mspire}/peak.rb +3 -3
  71. data/lib/{ms → mspire}/peak/point.rb +1 -1
  72. data/lib/{ms → mspire}/plms1.rb +4 -4
  73. data/lib/{ms → mspire}/quant/qspec.rb +4 -4
  74. data/lib/{ms → mspire}/quant/qspec/protein_group_comparison.rb +4 -4
  75. data/lib/{ms → mspire}/spectrum.rb +6 -6
  76. data/lib/{ms → mspire}/spectrum/centroid.rb +1 -1
  77. data/lib/{ms → mspire}/spectrum_like.rb +5 -5
  78. data/lib/{ms → mspire}/user_param.rb +2 -2
  79. data/script/mzml_read_binary.rb +1 -1
  80. data/spec/{ms → mspire}/cv/param_spec.rb +6 -6
  81. data/spec/{ms → mspire}/digester_spec.rb +10 -10
  82. data/spec/{ms → mspire}/error_rate/qvalue_spec.rb +3 -3
  83. data/spec/{ms → mspire}/fasta_spec.rb +10 -10
  84. data/spec/{ms → mspire}/ident/peptide/db_spec.rb +9 -9
  85. data/spec/{ms → mspire}/ident/pepxml/sample_enzyme_spec.rb +10 -10
  86. data/spec/{ms → mspire}/ident/pepxml/search_hit/modification_info_spec.rb +4 -4
  87. data/spec/{ms → mspire}/ident/pepxml_spec.rb +22 -22
  88. data/spec/{ms → mspire}/ident/protein_group_spec.rb +4 -4
  89. data/spec/{ms → mspire}/isotope/aa_spec.rb +3 -3
  90. data/spec/{ms → mspire}/isotope/distribution_spec.rb +4 -4
  91. data/spec/{ms → mspire}/isotope_spec.rb +9 -9
  92. data/spec/{ms → mspire}/mass_spec.rb +8 -8
  93. data/spec/{ms → mspire}/molecular_formula_spec.rb +4 -4
  94. data/spec/{ms → mspire}/mzml/cv_spec.rb +4 -4
  95. data/spec/{ms → mspire}/mzml/data_array_spec.rb +7 -7
  96. data/spec/{ms → mspire}/mzml/file_content_spec.rb +4 -4
  97. data/spec/{ms → mspire}/mzml/file_description_spec.rb +4 -4
  98. data/spec/{ms → mspire}/mzml/index_list_spec.rb +13 -13
  99. data/spec/{ms → mspire}/mzml/plms1_spec.rb +8 -8
  100. data/spec/{ms → mspire}/mzml/referenceable_param_group_spec.rb +6 -6
  101. data/spec/{ms → mspire}/mzml_spec.rb +30 -30
  102. data/spec/{ms → mspire}/peak_spec.rb +10 -10
  103. data/spec/{ms → mspire}/plms1_spec.rb +7 -7
  104. data/spec/{ms → mspire}/quant/qspec_spec.rb +2 -2
  105. data/spec/{ms → mspire}/spectrum_spec.rb +8 -8
  106. data/spec/{ms → mspire}/user_param_spec.rb +8 -8
  107. data/spec/testfiles/{ms → mspire}/ident/peptide/db/uni_11_sp_tr.fasta +0 -0
  108. data/spec/testfiles/{ms → mspire}/ident/peptide/db/uni_11_sp_tr.msd_clvg2.min_aaseq4.yml +0 -0
  109. data/spec/testfiles/{ms → mspire}/mzml/j24z.idx_comp.3.mzML +0 -0
  110. data/spec/testfiles/{ms → mspire}/mzml/mspire_simulated.MSn.check.mzML +0 -0
  111. data/spec/testfiles/{ms → mspire}/mzml/openms.noidx_nocomp.12.mzML +0 -0
  112. data/spec/testfiles/{ms → mspire}/quant/kill_extra_tabs.rb +0 -0
  113. data/spec/testfiles/{ms → mspire}/quant/max_quant_output.provenance.txt +0 -0
  114. data/spec/testfiles/{ms → mspire}/quant/max_quant_output.txt +0 -0
  115. data/spec/testfiles/{ms → mspire}/quant/pdcd5_final.killedextratabs.tsv +0 -0
  116. data/spec/testfiles/{ms → mspire}/quant/pdcd5_final.killedextratabs.tsv_qspecgp +0 -0
  117. data/spec/testfiles/{ms → mspire}/quant/pdcd5_final.killedextratabs.tsv_qspecgp.csv +0 -0
  118. data/spec/testfiles/{ms → mspire}/quant/pdcd5_final.txt +0 -0
  119. data/spec/testfiles/{ms → mspire}/quant/pdcd5_final.txt_qspecgp +0 -0
  120. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.CSV.csv +0 -0
  121. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.csv +0 -0
  122. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.oneprot.csv +0 -0
  123. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.oneprot.tsv +0 -0
  124. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp +0 -0
  125. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp.csv +0 -0
  126. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_qspec.txt +0 -0
  127. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_tabdel.txt +0 -0
  128. data/spec/testfiles/{ms → mspire}/quant/pdcd5_lfq_tabdel.txt_qspecgp +0 -0
  129. data/spec/testfiles/{ms → mspire}/quant/remove_rest_of_proteins.rb +0 -0
  130. data/spec/testfiles/{ms → mspire}/quant/unlog_transform.rb +0 -0
  131. metadata +148 -194
  132. data/lib/ms.rb +0 -3
@@ -1,22 +1,22 @@
1
1
  require 'spec_helper'
2
2
 
3
- require 'ms/user_param'
4
- require 'ms/cv/param'
3
+ require 'mspire/user_param'
4
+ require 'mspire/cv/param'
5
5
 
6
- describe MS::UserParam do
6
+ describe Mspire::UserParam do
7
7
 
8
8
  describe 'initializing with various args' do
9
9
 
10
10
  it 'can be initialized with the name' do
11
11
  arg = 'special_user_param'
12
- param = MS::UserParam.new arg
12
+ param = Mspire::UserParam.new arg
13
13
  param.name.should == arg
14
14
  param.unit.should be_nil
15
15
  end
16
16
 
17
17
  it' can be initialized with an included UO accession' do
18
18
  arg = 'special_user_param'
19
- param = MS::UserParam.new arg, 'UO:0000108'
19
+ param = Mspire::UserParam.new arg, 'UO:0000108'
20
20
  param.name.should == arg
21
21
  param.unit.should_not be_nil
22
22
  param.unit.accession.should == 'UO:0000108'
@@ -24,7 +24,7 @@ describe MS::UserParam do
24
24
 
25
25
  it' can be initialized with an included CV::Param (unit)' do
26
26
  arg = 'special_user_param'
27
- param = MS::UserParam.new arg, MS::CV::Param['UO:0000108']
27
+ param = Mspire::UserParam.new arg, Mspire::CV::Param['UO:0000108']
28
28
  param.name.should == arg
29
29
  param.unit.should_not be_nil
30
30
  param.unit.accession.should == 'UO:0000108'
@@ -32,14 +32,14 @@ describe MS::UserParam do
32
32
 
33
33
  it 'can be initialized with a name and value (and type)' do
34
34
  args = %w(some_user_param 88 xsd:float)
35
- param = MS::UserParam.new *args
35
+ param = Mspire::UserParam.new *args
36
36
  param.name.should == args[0]
37
37
  param.value.should == args[1]
38
38
  param.type.should == args[2]
39
39
  param.unit.should be_nil
40
40
 
41
41
  args = %w(some_user_param 88 xsd:float UO:0000108)
42
- param = MS::UserParam.new *args
42
+ param = Mspire::UserParam.new *args
43
43
  param.name.should == args[0]
44
44
  param.value.should == args[1]
45
45
  param.type.should == args[2]
File without changes
metadata CHANGED
@@ -1,7 +1,7 @@
1
1
  --- !ruby/object:Gem::Specification
2
2
  name: mspire
3
3
  version: !ruby/object:Gem::Version
4
- version: 0.6.26
4
+ version: 0.7.2
5
5
  prerelease:
6
6
  platform: ruby
7
7
  authors:
@@ -10,11 +10,11 @@ authors:
10
10
  autorequire:
11
11
  bindir: bin
12
12
  cert_chain: []
13
- date: 2012-03-15 00:00:00.000000000 Z
13
+ date: 2012-03-16 00:00:00.000000000 Z
14
14
  dependencies:
15
15
  - !ruby/object:Gem::Dependency
16
16
  name: nokogiri
17
- requirement: !ruby/object:Gem::Requirement
17
+ requirement: &19248100 !ruby/object:Gem::Requirement
18
18
  none: false
19
19
  requirements:
20
20
  - - ~>
@@ -22,15 +22,10 @@ dependencies:
22
22
  version: '1.5'
23
23
  type: :runtime
24
24
  prerelease: false
25
- version_requirements: !ruby/object:Gem::Requirement
26
- none: false
27
- requirements:
28
- - - ~>
29
- - !ruby/object:Gem::Version
30
- version: '1.5'
25
+ version_requirements: *19248100
31
26
  - !ruby/object:Gem::Dependency
32
27
  name: bsearch
33
- requirement: !ruby/object:Gem::Requirement
28
+ requirement: &19245800 !ruby/object:Gem::Requirement
34
29
  none: false
35
30
  requirements:
36
31
  - - ! '>='
@@ -38,15 +33,10 @@ dependencies:
38
33
  version: 1.5.0
39
34
  type: :runtime
40
35
  prerelease: false
41
- version_requirements: !ruby/object:Gem::Requirement
42
- none: false
43
- requirements:
44
- - - ! '>='
45
- - !ruby/object:Gem::Version
46
- version: 1.5.0
36
+ version_requirements: *19245800
47
37
  - !ruby/object:Gem::Dependency
48
38
  name: andand
49
- requirement: !ruby/object:Gem::Requirement
39
+ requirement: &19243220 !ruby/object:Gem::Requirement
50
40
  none: false
51
41
  requirements:
52
42
  - - ! '>='
@@ -54,15 +44,10 @@ dependencies:
54
44
  version: 1.3.1
55
45
  type: :runtime
56
46
  prerelease: false
57
- version_requirements: !ruby/object:Gem::Requirement
58
- none: false
59
- requirements:
60
- - - ! '>='
61
- - !ruby/object:Gem::Version
62
- version: 1.3.1
47
+ version_requirements: *19243220
63
48
  - !ruby/object:Gem::Dependency
64
49
  name: obo
65
- requirement: !ruby/object:Gem::Requirement
50
+ requirement: &19629860 !ruby/object:Gem::Requirement
66
51
  none: false
67
52
  requirements:
68
53
  - - ! '>='
@@ -70,15 +55,10 @@ dependencies:
70
55
  version: 0.1.0
71
56
  type: :runtime
72
57
  prerelease: false
73
- version_requirements: !ruby/object:Gem::Requirement
74
- none: false
75
- requirements:
76
- - - ! '>='
77
- - !ruby/object:Gem::Version
78
- version: 0.1.0
58
+ version_requirements: *19629860
79
59
  - !ruby/object:Gem::Dependency
80
60
  name: builder
81
- requirement: !ruby/object:Gem::Requirement
61
+ requirement: &19626740 !ruby/object:Gem::Requirement
82
62
  none: false
83
63
  requirements:
84
64
  - - ! '>='
@@ -86,15 +66,10 @@ dependencies:
86
66
  version: 3.0.0
87
67
  type: :runtime
88
68
  prerelease: false
89
- version_requirements: !ruby/object:Gem::Requirement
90
- none: false
91
- requirements:
92
- - - ! '>='
93
- - !ruby/object:Gem::Version
94
- version: 3.0.0
69
+ version_requirements: *19626740
95
70
  - !ruby/object:Gem::Dependency
96
71
  name: trollop
97
- requirement: !ruby/object:Gem::Requirement
72
+ requirement: &19624700 !ruby/object:Gem::Requirement
98
73
  none: false
99
74
  requirements:
100
75
  - - ! '>='
@@ -102,15 +77,10 @@ dependencies:
102
77
  version: 1.16.2
103
78
  type: :runtime
104
79
  prerelease: false
105
- version_requirements: !ruby/object:Gem::Requirement
106
- none: false
107
- requirements:
108
- - - ! '>='
109
- - !ruby/object:Gem::Version
110
- version: 1.16.2
80
+ version_requirements: *19624700
111
81
  - !ruby/object:Gem::Dependency
112
82
  name: rspec
113
- requirement: !ruby/object:Gem::Requirement
83
+ requirement: &19713620 !ruby/object:Gem::Requirement
114
84
  none: false
115
85
  requirements:
116
86
  - - ~>
@@ -118,15 +88,10 @@ dependencies:
118
88
  version: '2.6'
119
89
  type: :development
120
90
  prerelease: false
121
- version_requirements: !ruby/object:Gem::Requirement
122
- none: false
123
- requirements:
124
- - - ~>
125
- - !ruby/object:Gem::Version
126
- version: '2.6'
91
+ version_requirements: *19713620
127
92
  - !ruby/object:Gem::Dependency
128
93
  name: jeweler
129
- requirement: !ruby/object:Gem::Requirement
94
+ requirement: &19712460 !ruby/object:Gem::Requirement
130
95
  none: false
131
96
  requirements:
132
97
  - - ~>
@@ -134,15 +99,10 @@ dependencies:
134
99
  version: 1.5.2
135
100
  type: :development
136
101
  prerelease: false
137
- version_requirements: !ruby/object:Gem::Requirement
138
- none: false
139
- requirements:
140
- - - ~>
141
- - !ruby/object:Gem::Version
142
- version: 1.5.2
102
+ version_requirements: *19712460
143
103
  - !ruby/object:Gem::Dependency
144
104
  name: rcov
145
- requirement: !ruby/object:Gem::Requirement
105
+ requirement: &19709160 !ruby/object:Gem::Requirement
146
106
  none: false
147
107
  requirements:
148
108
  - - ! '>='
@@ -150,12 +110,7 @@ dependencies:
150
110
  version: '0'
151
111
  type: :development
152
112
  prerelease: false
153
- version_requirements: !ruby/object:Gem::Requirement
154
- none: false
155
- requirements:
156
- - - ! '>='
157
- - !ruby/object:Gem::Version
158
- version: '0'
113
+ version_requirements: *19709160
159
114
  description: mass spectrometry proteomics, lipidomics, and tools, a rewrite of mspire,
160
115
  merging of ms-* gems
161
116
  email: jtprince@gmail.com
@@ -176,84 +131,83 @@ files:
176
131
  - lib/cv/referenceable_param_group_ref.rb
177
132
  - lib/io/bookmark.rb
178
133
  - lib/merge.rb
179
- - lib/ms.rb
180
- - lib/ms/cv.rb
181
- - lib/ms/cv/param.rb
182
- - lib/ms/cv/paramable.rb
183
- - lib/ms/digester.rb
184
- - lib/ms/error_rate/decoy.rb
185
- - lib/ms/error_rate/qvalue.rb
186
- - lib/ms/fasta.rb
187
- - lib/ms/ident.rb
188
- - lib/ms/ident/peptide.rb
189
- - lib/ms/ident/peptide/db.rb
190
- - lib/ms/ident/peptide_hit.rb
191
- - lib/ms/ident/peptide_hit/qvalue.rb
192
- - lib/ms/ident/pepxml.rb
193
- - lib/ms/ident/pepxml/modifications.rb
194
- - lib/ms/ident/pepxml/msms_pipeline_analysis.rb
195
- - lib/ms/ident/pepxml/msms_run_summary.rb
196
- - lib/ms/ident/pepxml/parameters.rb
197
- - lib/ms/ident/pepxml/sample_enzyme.rb
198
- - lib/ms/ident/pepxml/search_database.rb
199
- - lib/ms/ident/pepxml/search_hit.rb
200
- - lib/ms/ident/pepxml/search_hit/modification_info.rb
201
- - lib/ms/ident/pepxml/search_result.rb
202
- - lib/ms/ident/pepxml/search_summary.rb
203
- - lib/ms/ident/pepxml/spectrum_query.rb
204
- - lib/ms/ident/protein.rb
205
- - lib/ms/ident/protein_group.rb
206
- - lib/ms/ident/search.rb
207
- - lib/ms/isotope.rb
208
- - lib/ms/isotope/aa.rb
209
- - lib/ms/isotope/distribution.rb
210
- - lib/ms/isotope/nist_isotope_info.yml
211
- - lib/ms/mascot.rb
212
- - lib/ms/mass.rb
213
- - lib/ms/mass/aa.rb
214
- - lib/ms/molecular_formula.rb
215
- - lib/ms/mzml.rb
216
- - lib/ms/mzml/activation.rb
217
- - lib/ms/mzml/chromatogram.rb
218
- - lib/ms/mzml/chromatogram_list.rb
219
- - lib/ms/mzml/component.rb
220
- - lib/ms/mzml/contact.rb
221
- - lib/ms/mzml/cv.rb
222
- - lib/ms/mzml/data_array.rb
223
- - lib/ms/mzml/data_array_container_like.rb
224
- - lib/ms/mzml/data_processing.rb
225
- - lib/ms/mzml/file_content.rb
226
- - lib/ms/mzml/file_description.rb
227
- - lib/ms/mzml/index_list.rb
228
- - lib/ms/mzml/instrument_configuration.rb
229
- - lib/ms/mzml/isolation_window.rb
230
- - lib/ms/mzml/list.rb
231
- - lib/ms/mzml/plms1.rb
232
- - lib/ms/mzml/precursor.rb
233
- - lib/ms/mzml/processing_method.rb
234
- - lib/ms/mzml/product.rb
235
- - lib/ms/mzml/referenceable_param_group.rb
236
- - lib/ms/mzml/run.rb
237
- - lib/ms/mzml/sample.rb
238
- - lib/ms/mzml/scan.rb
239
- - lib/ms/mzml/scan_list.rb
240
- - lib/ms/mzml/scan_settings.rb
241
- - lib/ms/mzml/selected_ion.rb
242
- - lib/ms/mzml/software.rb
243
- - lib/ms/mzml/source_file.rb
244
- - lib/ms/mzml/spectrum.rb
245
- - lib/ms/mzml/spectrum_list.rb
246
- - lib/ms/obo.rb
247
- - lib/ms/peak.rb
248
- - lib/ms/peak/point.rb
249
- - lib/ms/plms1.rb
250
- - lib/ms/quant/qspec.rb
251
- - lib/ms/quant/qspec/protein_group_comparison.rb
252
- - lib/ms/spectrum.rb
253
- - lib/ms/spectrum/centroid.rb
254
- - lib/ms/spectrum_like.rb
255
- - lib/ms/user_param.rb
256
134
  - lib/mspire.rb
135
+ - lib/mspire/cv.rb
136
+ - lib/mspire/cv/param.rb
137
+ - lib/mspire/cv/paramable.rb
138
+ - lib/mspire/digester.rb
139
+ - lib/mspire/error_rate/decoy.rb
140
+ - lib/mspire/error_rate/qvalue.rb
141
+ - lib/mspire/fasta.rb
142
+ - lib/mspire/ident.rb
143
+ - lib/mspire/ident/peptide.rb
144
+ - lib/mspire/ident/peptide/db.rb
145
+ - lib/mspire/ident/peptide_hit.rb
146
+ - lib/mspire/ident/peptide_hit/qvalue.rb
147
+ - lib/mspire/ident/pepxml.rb
148
+ - lib/mspire/ident/pepxml/modifications.rb
149
+ - lib/mspire/ident/pepxml/msms_pipeline_analysis.rb
150
+ - lib/mspire/ident/pepxml/msms_run_summary.rb
151
+ - lib/mspire/ident/pepxml/parameters.rb
152
+ - lib/mspire/ident/pepxml/sample_enzyme.rb
153
+ - lib/mspire/ident/pepxml/search_database.rb
154
+ - lib/mspire/ident/pepxml/search_hit.rb
155
+ - lib/mspire/ident/pepxml/search_hit/modification_info.rb
156
+ - lib/mspire/ident/pepxml/search_result.rb
157
+ - lib/mspire/ident/pepxml/search_summary.rb
158
+ - lib/mspire/ident/pepxml/spectrum_query.rb
159
+ - lib/mspire/ident/protein.rb
160
+ - lib/mspire/ident/protein_group.rb
161
+ - lib/mspire/ident/search.rb
162
+ - lib/mspire/isotope.rb
163
+ - lib/mspire/isotope/aa.rb
164
+ - lib/mspire/isotope/distribution.rb
165
+ - lib/mspire/isotope/nist_isotope_info.yml
166
+ - lib/mspire/mascot.rb
167
+ - lib/mspire/mass.rb
168
+ - lib/mspire/mass/aa.rb
169
+ - lib/mspire/molecular_formula.rb
170
+ - lib/mspire/mzml.rb
171
+ - lib/mspire/mzml/activation.rb
172
+ - lib/mspire/mzml/chromatogram.rb
173
+ - lib/mspire/mzml/chromatogram_list.rb
174
+ - lib/mspire/mzml/component.rb
175
+ - lib/mspire/mzml/contact.rb
176
+ - lib/mspire/mzml/cv.rb
177
+ - lib/mspire/mzml/data_array.rb
178
+ - lib/mspire/mzml/data_array_container_like.rb
179
+ - lib/mspire/mzml/data_processing.rb
180
+ - lib/mspire/mzml/file_content.rb
181
+ - lib/mspire/mzml/file_description.rb
182
+ - lib/mspire/mzml/index_list.rb
183
+ - lib/mspire/mzml/instrument_configuration.rb
184
+ - lib/mspire/mzml/isolation_window.rb
185
+ - lib/mspire/mzml/list.rb
186
+ - lib/mspire/mzml/plms1.rb
187
+ - lib/mspire/mzml/precursor.rb
188
+ - lib/mspire/mzml/processing_method.rb
189
+ - lib/mspire/mzml/product.rb
190
+ - lib/mspire/mzml/referenceable_param_group.rb
191
+ - lib/mspire/mzml/run.rb
192
+ - lib/mspire/mzml/sample.rb
193
+ - lib/mspire/mzml/scan.rb
194
+ - lib/mspire/mzml/scan_list.rb
195
+ - lib/mspire/mzml/scan_settings.rb
196
+ - lib/mspire/mzml/selected_ion.rb
197
+ - lib/mspire/mzml/software.rb
198
+ - lib/mspire/mzml/source_file.rb
199
+ - lib/mspire/mzml/spectrum.rb
200
+ - lib/mspire/mzml/spectrum_list.rb
201
+ - lib/mspire/obo.rb
202
+ - lib/mspire/peak.rb
203
+ - lib/mspire/peak/point.rb
204
+ - lib/mspire/plms1.rb
205
+ - lib/mspire/quant/qspec.rb
206
+ - lib/mspire/quant/qspec/protein_group_comparison.rb
207
+ - lib/mspire/spectrum.rb
208
+ - lib/mspire/spectrum/centroid.rb
209
+ - lib/mspire/spectrum_like.rb
210
+ - lib/mspire/user_param.rb
257
211
  - lib/obo/ims.rb
258
212
  - lib/obo/ms.rb
259
213
  - lib/obo/ontology.rb
@@ -266,60 +220,60 @@ files:
266
220
  - obo/unit.obo
267
221
  - script/mzml_read_binary.rb
268
222
  - spec/bin_spec.rb
269
- - spec/ms/cv/param_spec.rb
270
- - spec/ms/digester_spec.rb
271
- - spec/ms/error_rate/qvalue_spec.rb
272
- - spec/ms/fasta_spec.rb
273
- - spec/ms/ident/peptide/db_spec.rb
274
- - spec/ms/ident/pepxml/sample_enzyme_spec.rb
275
- - spec/ms/ident/pepxml/search_hit/modification_info_spec.rb
276
- - spec/ms/ident/pepxml_spec.rb
277
- - spec/ms/ident/protein_group_spec.rb
278
- - spec/ms/isotope/aa_spec.rb
279
- - spec/ms/isotope/distribution_spec.rb
280
- - spec/ms/isotope_spec.rb
281
- - spec/ms/mass_spec.rb
282
- - spec/ms/molecular_formula_spec.rb
283
- - spec/ms/mzml/cv_spec.rb
284
- - spec/ms/mzml/data_array_spec.rb
285
- - spec/ms/mzml/file_content_spec.rb
286
- - spec/ms/mzml/file_description_spec.rb
287
- - spec/ms/mzml/index_list_spec.rb
288
- - spec/ms/mzml/plms1_spec.rb
289
- - spec/ms/mzml/referenceable_param_group_spec.rb
290
- - spec/ms/mzml_spec.rb
291
- - spec/ms/peak_spec.rb
292
- - spec/ms/plms1_spec.rb
293
- - spec/ms/quant/qspec_spec.rb
294
- - spec/ms/spectrum_spec.rb
295
- - spec/ms/user_param_spec.rb
223
+ - spec/mspire/cv/param_spec.rb
224
+ - spec/mspire/digester_spec.rb
225
+ - spec/mspire/error_rate/qvalue_spec.rb
226
+ - spec/mspire/fasta_spec.rb
227
+ - spec/mspire/ident/peptide/db_spec.rb
228
+ - spec/mspire/ident/pepxml/sample_enzyme_spec.rb
229
+ - spec/mspire/ident/pepxml/search_hit/modification_info_spec.rb
230
+ - spec/mspire/ident/pepxml_spec.rb
231
+ - spec/mspire/ident/protein_group_spec.rb
232
+ - spec/mspire/isotope/aa_spec.rb
233
+ - spec/mspire/isotope/distribution_spec.rb
234
+ - spec/mspire/isotope_spec.rb
235
+ - spec/mspire/mass_spec.rb
236
+ - spec/mspire/molecular_formula_spec.rb
237
+ - spec/mspire/mzml/cv_spec.rb
238
+ - spec/mspire/mzml/data_array_spec.rb
239
+ - spec/mspire/mzml/file_content_spec.rb
240
+ - spec/mspire/mzml/file_description_spec.rb
241
+ - spec/mspire/mzml/index_list_spec.rb
242
+ - spec/mspire/mzml/plms1_spec.rb
243
+ - spec/mspire/mzml/referenceable_param_group_spec.rb
244
+ - spec/mspire/mzml_spec.rb
245
+ - spec/mspire/peak_spec.rb
246
+ - spec/mspire/plms1_spec.rb
247
+ - spec/mspire/quant/qspec_spec.rb
248
+ - spec/mspire/spectrum_spec.rb
249
+ - spec/mspire/user_param_spec.rb
296
250
  - spec/mspire_spec.rb
297
251
  - spec/obo_spec.rb
298
252
  - spec/spec_helper.rb
299
- - spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.fasta
300
- - spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.msd_clvg2.min_aaseq4.yml
301
- - spec/testfiles/ms/mzml/j24z.idx_comp.3.mzML
302
- - spec/testfiles/ms/mzml/mspire_simulated.MSn.check.mzML
303
- - spec/testfiles/ms/mzml/openms.noidx_nocomp.12.mzML
304
- - spec/testfiles/ms/quant/kill_extra_tabs.rb
305
- - spec/testfiles/ms/quant/max_quant_output.provenance.txt
306
- - spec/testfiles/ms/quant/max_quant_output.txt
307
- - spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv
308
- - spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp
309
- - spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp.csv
310
- - spec/testfiles/ms/quant/pdcd5_final.txt
311
- - spec/testfiles/ms/quant/pdcd5_final.txt_qspecgp
312
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.CSV.csv
313
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.csv
314
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.csv
315
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv
316
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp
317
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp.csv
318
- - spec/testfiles/ms/quant/pdcd5_lfq_qspec.txt
319
- - spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt
320
- - spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt_qspecgp
321
- - spec/testfiles/ms/quant/remove_rest_of_proteins.rb
322
- - spec/testfiles/ms/quant/unlog_transform.rb
253
+ - spec/testfiles/mspire/ident/peptide/db/uni_11_sp_tr.fasta
254
+ - spec/testfiles/mspire/ident/peptide/db/uni_11_sp_tr.msd_clvg2.min_aaseq4.yml
255
+ - spec/testfiles/mspire/mzml/j24z.idx_comp.3.mzML
256
+ - spec/testfiles/mspire/mzml/mspire_simulated.MSn.check.mzML
257
+ - spec/testfiles/mspire/mzml/openms.noidx_nocomp.12.mzML
258
+ - spec/testfiles/mspire/quant/kill_extra_tabs.rb
259
+ - spec/testfiles/mspire/quant/max_quant_output.provenance.txt
260
+ - spec/testfiles/mspire/quant/max_quant_output.txt
261
+ - spec/testfiles/mspire/quant/pdcd5_final.killedextratabs.tsv
262
+ - spec/testfiles/mspire/quant/pdcd5_final.killedextratabs.tsv_qspecgp
263
+ - spec/testfiles/mspire/quant/pdcd5_final.killedextratabs.tsv_qspecgp.csv
264
+ - spec/testfiles/mspire/quant/pdcd5_final.txt
265
+ - spec/testfiles/mspire/quant/pdcd5_final.txt_qspecgp
266
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.CSV.csv
267
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.csv
268
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.oneprot.csv
269
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.oneprot.tsv
270
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp
271
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp.csv
272
+ - spec/testfiles/mspire/quant/pdcd5_lfq_qspec.txt
273
+ - spec/testfiles/mspire/quant/pdcd5_lfq_tabdel.txt
274
+ - spec/testfiles/mspire/quant/pdcd5_lfq_tabdel.txt_qspecgp
275
+ - spec/testfiles/mspire/quant/remove_rest_of_proteins.rb
276
+ - spec/testfiles/mspire/quant/unlog_transform.rb
323
277
  - spec/testfiles/plms1/output.key
324
278
  homepage: http://github.com/princelab/mspire
325
279
  licenses:
@@ -342,7 +296,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement
342
296
  version: '0'
343
297
  requirements: []
344
298
  rubyforge_project:
345
- rubygems_version: 1.8.18
299
+ rubygems_version: 1.8.15
346
300
  signing_key:
347
301
  specification_version: 3
348
302
  summary: mass spectrometry proteomics, lipidomics, and tools