mspire 0.6.26 → 0.7.2

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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
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  describe 'initializing with various args' do
9
9
 
10
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  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