libpappsomspp
Library for mass spectrometry
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pappso::Enums Namespace Reference

Enumerations

enum class  TimeUnit { none , s , min , h }
enum class  PrecisionUnit {
  none , dalton , ppm , res ,
  mz , last
}
enum class  AtomIsotopeSurvey : std::int8_t {
  C , H , O , N ,
  S , P , last
}
enum class  Isotope {
  C , C13 , H , H2 ,
  O , O17 , O18 , N ,
  N15 , S , S33 , S34 ,
  S36 , P
}
enum class  MsDataFormat : std::int8_t {
  unknown = 0 , mzML = 1 , mzXML = 2 , MGF = 3 ,
  SQLite3 = 4 , xy = 5 , mz5 = 6 , msn = 7 ,
  abSciexWiff = 8 , abSciexT2D = 9 , agilentMassHunter = 10 , thermoRaw = 11 ,
  watersRaw = 12 , brukerFid = 13 , brukerYep = 14 , brukerBaf = 15 ,
  brukerTims = 16 , brukerBafAscii = 17 , mzcbor = 18 , last = 19
}
enum class  FileReaderType {
  pwiz , mzcbor , xy , bafascii ,
  tims , tims_frames , tims_ms2 , tims_dia
}
enum class  AminoAcidChar : char {
  alanine = 'A' , cysteine = 'C' , aspartic_acid = 'D' , glutamic_acid = 'E' ,
  phenylalanine = 'F' , glycine = 'G' , histidine = 'H' , isoleucine = 'I' ,
  lysine = 'K' , leucine = 'L' , methionine = 'M' , asparagine = 'N' ,
  proline = 'P' , glutamine = 'Q' , arginine = 'R' , serine = 'S' ,
  threonine = 'T' , valine = 'V' , tryptophan = 'W' , tyrosine = 'Y' ,
  selenocysteine = 'U' , pyrrolysine = 'O'
}
enum class  SortType : std::int8_t { none = 0 , x = 1 , y = 2 }
enum class  SortOrder : std::int8_t { ascending = 0 , descending = 1 }
enum class  DataCompression : std::int8_t { unset = -1 , none = 0 , zlib = 1 }
enum class  DataKind : std::int8_t { unset = -1 , rt = 0 , dt = 1 , mz = 2 }
enum class  Axis : std::int8_t { unset = 0x000 , x = 1 << 0 , y = 1 << 1 , z = 1 << 2 }
enum class  AxisScale : std::int8_t { unset = 0 , orig = 1 , log10 = 2 }
enum class  XicExtractMethod : std::int8_t { sum = 1 , max = 2 }
enum class  PeptideIon : std::int8_t {
  b = 0 , bstar = 1 , bo = 2 , a = 3 ,
  astar = 4 , ao = 5 , bp = 6 , c = 7 ,
  y = 8 , ystar = 9 , yo = 10 , z = 11 ,
  yp = 12 , x = 13
}
 Enums::PeptideIon enum defines all types of ions (Nter or Cter). More...

Enumeration Type Documentation

◆ AminoAcidChar

enum class pappso::Enums::AminoAcidChar : char
strong
Enumerator
alanine 
cysteine 
aspartic_acid 
glutamic_acid 
phenylalanine 
glycine 
histidine 
isoleucine 
lysine 
leucine 
methionine 
asparagine 
proline 
glutamine 
arginine 
serine 
threonine 
valine 
tryptophan 
tyrosine 
selenocysteine 
pyrrolysine 

Definition at line 187 of file types.h.

188{
189 alanine = 'A',
190 cysteine = 'C',
191 aspartic_acid = 'D',
192 glutamic_acid = 'E',
193 phenylalanine = 'F',
194 glycine = 'G',
195 histidine = 'H',
196 isoleucine = 'I',
197 lysine = 'K',
198 leucine = 'L',
199 methionine = 'M',
200 asparagine = 'N',
201 proline = 'P',
202 glutamine = 'Q',
203 arginine = 'R',
204 serine = 'S',
205 threonine = 'T',
206 valine = 'V',
207 tryptophan = 'W',
208 tyrosine = 'Y',
209 selenocysteine = 'U',
210 pyrrolysine = 'O',
211};

◆ AtomIsotopeSurvey

◆ Axis

enum class pappso::Enums::Axis : std::int8_t
strong
Enumerator
unset 
x 
y 
z 

Definition at line 245 of file types.h.

246{
247 unset = 0x000,
248 x = 1 << 0,
249 y = 1 << 1,
250 z = 1 << 2,
251};

◆ AxisScale

enum class pappso::Enums::AxisScale : std::int8_t
strong
Enumerator
unset 
orig 
log10 

Definition at line 253 of file types.h.

254{
255 unset = 0,
256 orig = 1,
257 log10 = 2,
258};

◆ DataCompression

enum class pappso::Enums::DataCompression : std::int8_t
strong
Enumerator
unset 

not net

none 

no compression

zlib 

zlib compresssion

Definition at line 230 of file types.h.

231{
232 unset = -1, ///< not net
233 none = 0, ///< no compression
234 zlib = 1, ///< zlib compresssion
235};
@ zlib
zlib compresssion
Definition types.h:234

◆ DataKind

enum class pappso::Enums::DataKind : std::int8_t
strong
Enumerator
unset 

not set

rt 

Retention time.

dt 

Drift time.

mz 

m/z

Definition at line 237 of file types.h.

238{
239 unset = -1, ///< not set
240 rt = 0, ///< Retention time
241 dt = 1, ///< Drift time
242 mz = 2, ///< m/z
243};
@ dt
Drift time.
Definition types.h:241
@ rt
Retention time.
Definition types.h:240

◆ FileReaderType

enum class pappso::Enums::FileReaderType
strong
Enumerator
pwiz 

using libpwizlite

mzcbor 

using homemade mzcbor parser

xy 
bafascii 
tims 

TimsMsRunReader : each scan is returned as a mass spectrum.

tims_frames 

TimsFramesMsRunReader : the whole frame is merged in a single spectrum

tims_ms2 

TimsMsRunReaderMs2 : Spectrum are delivered for each precursor (MS1 or MS2)

tims_dia 

TimsMsRunReaderDia : Spectrum are delivered for DIA window (slice)

Definition at line 168 of file types.h.

169{
170 pwiz, ///< using libpwizlite
171 mzcbor, ///< using homemade mzcbor parser
172 xy,
173 bafascii,
174 tims, ///< TimsMsRunReader : each scan is returned as a mass spectrum
175 tims_frames, ///< TimsFramesMsRunReader : the whole frame is merged in a
176 ///< single spectrum
177 tims_ms2, ///< TimsMsRunReaderMs2 : Spectrum are delivered for each precursor
178 ///< (MS1 or MS2)
179
180 tims_dia, ///< TimsMsRunReaderDia : Spectrum are delivered for DIA window
181 ///< (slice)
182};
@ pwiz
using libpwizlite
Definition types.h:170
@ tims
TimsMsRunReader : each scan is returned as a mass spectrum.
Definition types.h:174

◆ Isotope

enum class pappso::Enums::Isotope
strong
Enumerator
C 
C13 
H 
H2 
O 
O17 
O18 
N 
N15 
S 
S33 
S34 
S36 
P 

Definition at line 119 of file types.h.

120{
121 C,
122 C13,
123 H,
124 H2,
125 O,
126 O17,
127 O18,
128 N,
129 N15,
130 S,
131 S33,
132 S34,
133 S36,
134 P
135};

◆ MsDataFormat

enum class pappso::Enums::MsDataFormat : std::int8_t
strong
Enumerator
unknown 

unknown format

mzML 

mzML

mzXML 

mzXML

MGF 

Mascot format.

SQLite3 

SQLite3 format.

xy 

(x,y) format

mz5 
msn 
abSciexWiff 
abSciexT2D 
agilentMassHunter 
thermoRaw 
watersRaw 
brukerFid 
brukerYep 
brukerBaf 
brukerTims 
brukerBafAscii 
mzcbor 
last 

Definition at line 141 of file types.h.

142{
143 unknown = 0, ///< unknown format
144 mzML = 1, ///< mzML
145 mzXML = 2, ///< mzXML
146 MGF = 3, ///< Mascot format
147 SQLite3 = 4, ///< SQLite3 format
148 xy = 5, ///< (x,y) format
149 mz5 = 6, //< MZ5 format
150 msn = 7, //< MS_MS2 format
151 abSciexWiff = 8,
152 abSciexT2D = 9,
154 thermoRaw = 11,
155 watersRaw = 12,
156 brukerFid = 13,
157 brukerYep = 14,
158 brukerBaf = 15,
159 brukerTims = 16,
160 brukerBafAscii = 17, // Baf to ascii from Bruker software
161 mzcbor = 18,
162 last = 19
163};
@ unknown
unknown format
Definition types.h:143
@ SQLite3
SQLite3 format.
Definition types.h:147
@ MGF
Mascot format.
Definition types.h:146

◆ PeptideIon

enum class pappso::Enums::PeptideIon : std::int8_t
strong

Enums::PeptideIon enum defines all types of ions (Nter or Cter).

Enumerator
b 

Nter acylium ions.

bstar 

Nter acylium ions + NH3 loss.

bo 

Nter acylium ions + H2O loss.

a 

Nter aldimine ions.

astar 

Nter aldimine ions + NH3 loss.

ao 

Nter aldimine ions + H2O loss.

bp 
c 

Nter amino ions.

y 

Cter amino ions.

ystar 

Cter amino ions + NH3 loss.

yo 

Cter amino ions + H2O loss.

z 

Cter carbocations.

yp 
x 

Cter acylium ions.

Definition at line 271 of file types.h.

272{
273 b = 0, ///< Nter acylium ions
274 bstar = 1, ///< Nter acylium ions + NH3 loss
275 bo = 2, ///< Nter acylium ions + H2O loss
276 a = 3, ///< Nter aldimine ions
277 astar = 4, ///< Nter aldimine ions + NH3 loss
278 ao = 5, ///< Nter aldimine ions + H2O loss
279 bp = 6,
280 c = 7, ///< Nter amino ions
281 y = 8, ///< Cter amino ions
282 ystar = 9, ///< Cter amino ions + NH3 loss
283 yo = 10, ///< Cter amino ions + H2O loss
284 z = 11, ///< Cter carbocations
285 yp = 12,
286 x = 13 ///< Cter acylium ions
287};
@ a
peak detected using a single direct MS2 observation
Definition types.h:46

◆ PrecisionUnit

enum class pappso::Enums::PrecisionUnit
strong
Enumerator
none 
dalton 
ppm 
res 
mz 
last 

Definition at line 90 of file types.h.

◆ SortOrder

enum class pappso::Enums::SortOrder : std::int8_t
strong
Enumerator
ascending 
descending 

Definition at line 220 of file types.h.

221{
222 ascending = 0,
223 descending = 1,
224};

◆ SortType

enum class pappso::Enums::SortType : std::int8_t
strong
Enumerator
none 
x 
y 

Definition at line 213 of file types.h.

214{
215 none = 0,
216 x = 1,
217 y = 2,
218};

◆ TimeUnit

enum class pappso::Enums::TimeUnit
strong
Enumerator
none 
s 
min 
h 

Definition at line 78 of file types.h.

◆ XicExtractMethod

enum class pappso::Enums::XicExtractMethod : std::int8_t
strong
Enumerator
sum 

sum of intensities

max 

maximum of intensities

Definition at line 263 of file types.h.

264{
265 sum = 1, ///< sum of intensities
266 max = 2 ///< maximum of intensities
267};
@ sum
sum of intensities
Definition types.h:265
@ max
maximum of intensities
Definition types.h:266