@@ -238,7 +238,10 @@ class PeaksToNMRiumOptions(BaseModel):
238238 frequency : Optional [float ] = Field (400 , description = "NMR frequency in MHz" )
239239 nbPoints : Optional [int ] = Field (
240240 131072 , description = "Number of points for spectrum generation" , alias = "nb_points" )
241-
241+ from_ : Optional [float ] = Field (
242+ default = None , description = "Start of spectrum range" , alias = "from" )
243+ to : Optional [float ] = Field (
244+ default = None , description = "End of spectrum range" , alias = "to" )
242245 model_config = {"populate_by_name" : True }
243246
244247
@@ -608,6 +611,8 @@ async def parse_peaks(request: PeaksToNMRiumRequest):
608611 | `solvent` | string | `""` | NMR solvent |
609612 | `frequency` | float | `400` | NMR frequency in MHz |
610613 | `nb_points` | int | `131072`| Number of spectrum points |
614+ | `from` | int | `undefined` | Start of spectrum range (defaults to first peak value) |
615+ | `to` | int | `undefined` | End of spectrum range (defaults to last peak value) |
611616
612617 ### Returns
613618 NMRium-compatible JSON with spectrum data and metadata.
@@ -628,6 +633,10 @@ async def parse_peaks(request: PeaksToNMRiumRequest):
628633 "frequency" : request .options .frequency ,
629634 "nbPoints" : request .options .nbPoints ,
630635 }
636+ if request .options .from_ is not None :
637+ payload ["options" ]["from" ] = request .options .from_
638+ if request .options .to is not None :
639+ payload ["options" ]["to" ] = request .options .to
631640
632641 try :
633642 raw_json = run_peaks_to_nmrium_command (payload )
0 commit comments