\(\renewcommand\AA{\unicode{x212B}}\)
Table of Contents
This section is designed like a reference that users can paste straight into existing TOML files.
Note: TOML files use SI units rather than a mix of unit prefixes. For example, you will need to convert any measurements in millimetres to meters.
The following is used to note optional qualifiers which were available in
the existing user file format: [
]
.
Examples are given in a way that they can be merged together where headers match, for example these three examples:
[binning]
wavelength = {start = 2.0, step=0.125, stop=14.0, type = "Lin"}
[binning]
[binning.1d_reduction]
binning = "0.02,0.05,0.5,-0.1,10.0"
[binning]
[binning.2d_reduction]
step = 0.002
stop = 0.1
type = "Lin"
Are combined into the following when writing the TOML file:
[binning]
wavelength = {start = 2.0, step=0.125, stop=14.0, type = "Lin"}
[binning.1d_reduction]
binning = "0.02,0.05,0.5,-0.1,10.0"
[binning.2d_reduction]
step = 0.002
stop = 0.1
type = "Lin"
For converting existing files I recommend the following process:
!
)Replacement Unsupported - Monitor ranges must be set directly
[normalization]
[normalisation.monitor.Mn]
spectrum_number = n
background = [x, y]
OR
[transmission]
[transmission.monitor.Mn]
spectrum_number = n
use_own_background = true
background = [x, y]
Existing Example
BACK/M1/TIMES 30000 40000
Existing Replacement
[normalization]
[normalisation.monitor.M1]
spectrum_number = 1
background = [30000.0, 40000.0]
Replacement Unsupported
[detector]
[detector.calibration.position]
front_x = a
front_y = b
front_z = c
front_rot = d
rear_x = e
rear_z = f
Existing Example
DET/CORR REAR X 0.0
DET/CORR REAR Z 58
DET/CORR FRONT X -33
DET/CORR FRONT Y -20
DET/CORR FRONT Z -47
DET/CORR FRONT ROT 0.0
Existing Replacement
[detector]
[detector.calibration.position]
front_x = -0.033
front_y = -0.020
front_z = -0.047
front_rot = 0.0
rear_x = 0.0
rear_z = 0.058
[detector.configuration]
selected_detector = "LAB"
Existing Example
DET/HAB
Existing Replacement
[detector.configuration]
selected_detector = "HAB" # Or "LAB", "All" (with lowercase l's), "Merged" ...etc.
[reduction]
[reduction.merged.rescale]
min = x
max = y
use_fit = true # or false
Existing Example
DET/RESCALE/FIT 0.14 0.24
Existing Replacement
[reduction]
[reduction.merged.rescale]
min = 0.14
max = 0.24
use_fit = true
[reduction]
[reduction.merged.rescale]
factor = x
use_fit = false # Must be false for single value
Existing Example
DET/SCALE 0.123
Existing Replacement
[reduction]
[reduction.merged.rescale]
factor = 0.123
use_fit = false
[reduction]
[reduction.merged.rescale]
min = x
max = y
use_fit = true # Must be true for fitting
Existing Example
DET/SCALE 0.1 0.2 /FIT
Existing Replacement
[reduction]
[reduction.merged.rescale]
min = 0.1
max = 0.2
use_fit = true # Must be true for fitting
[reduction]
[reduction.merged.shift]
distance = x
use_fit = false # Must be false for single value
Existing Example
DET/SHIFT 0.123
Existing Replacement
[reduction]
[reduction.merged.shift]
distance = 0.123
use_fit = false
[reduction]
[reduction.merged.shift]
min = x
max = y
use_fit = true # Must be true for fitting
Existing Example
DET/SHIFT 0.1 0.2 /FIT
Existing Replacement
[reduction]
[reduction.merged.shift]
min = 0.1
max = 0.2
use_fit = true
[reduction]
[reduction.merged.merge_range]
min = x
max = y
use_fit = true
Existing Example
DET/OVERLAP 0.14 0.24
Existing Replacement
[merged]
[reduction.merged.merge_range]
min = 0.14
max = 0.24
use_fit = true
Replacement Unsupported
Note: This was only enabled for LOQ in source code, so if you are not converting a LOQ file this should not be copied as it will produce different results
Replacement
[mask]
prompt_peak = {start = x, stop = y}
Existing Example
FIT/MONITOR 19900 20500
Existing Replacement
[mask]
prompt_peak = {start = 19900.0, stop = 20500.0}
Replacement
[transmission]
[transmission.fitting]
enabled = true
parameters = {lambda_min = x, lambda_max = x}
# Can be: Linear / Logarithmic / Polynomial
function = "Linear"
# Only used when set to Polynomial
polynomial_order = 2
Existing Example
FIT/TRANS/LIN 3.0 11.0
Existing Replacement
[transmission]
[transmission.fitting]
enabled = true
parameters = {lambda_min = 3.0, lambda_max = 11.0}
function = "Linear"
Replacement
[gravity]
enabled = true
Existing Example
GRAVITY/ON
Existing Replacement
[gravity]
enabled = true
Replacement
[instrument.configuration]
gravity_extra_length = x
Existing Example
GRAVITY/LEXTRA 2.0
Existing Replacement
[instrument.configuration]
gravity_extra_length = 2.0
Replacement
[reduction.events]
binning = "str"
Existing Example
L/EVENTSTIME 7000.0,500.0,60000.0
Existing Replacement
[reduction.events]
# A negative step (middle val) indicates Log
binning = "7000.0,500.0,60000.0"
Replacement
[mask]
[mask.phi]
mirror = bool
start = x
stop = y
Existing Example
L/PHI/NOMIRROR -45 45
Existing Replacement
[mask]
[mask.phi]
mirror = false
start = x
stop = y
Replacement
[binning.1d_reduction]
# Negative indicates log
binning = "rebin_string"
Existing Example
L/Q .02,0.05,0.5,-0.1,10
Existing Replacement
[binning]
[binning.1d_reduction]
# Negative indicates log
binning = "0.02,0.05,0.5,-0.1,10.0"
Replacement
[binning.1d_reduction]
radius_cut = x
Existing Example
L/Q/RCUT 100
Existing Replacement
[binning]
[binning.1d_reduction]
radius_cut = 0.1
Replacement
[binning.1d_reduction]
wavelength_cut = x
Existing Example
L/Q/WCUT 8
Existing Replacement
[binning]
[binning.1d_reduction]
wavelength_cut = 8.0
Replacement
[binning]
[binning.2d_reduction]
#binning MUST start at 0.0
step = step
stop = stop
#type can be "Lin" or "Log"
type = "Lin"
Existing Example
L/QXY 0 0.1 .002/lin
Existing Replacement
[binning]
[binning.2d_reduction]
step = 0.002
stop = 0.1
type = "Lin"
Note step was ignored previously.
[detector]
radius_limit = {min = 0.038, max = -0.001}
Existing Example
L/R 38 -1
Existing Replacement
[detector]
radius_limit = {min = 0.038, max = -0.001}
Replacement
wavelength = {start = min, step = step, stop = max, type = "Lin"}
# Alternative for ranges
wavelength = {binning = "min,max", step = step, type = "RangeLin"}
Existing Example
L/WAV 2.0 14.0 0.125/LIN
Existing Replacement
[binning]
# Only for "Lin", "Log"
wavelength = {start = 2.0, step=0.125, stop=14.0, type = "Lin"}
# Only for "RangeLin" or "RangeLog
wavelength = {binning="2.0-7.0, 7.0-14.0", type = "RangeLin"}
Replacement
[mask]
mask_files = ["a", "b", "c"]
Existing Example
MASKFILE=a.xml,b.xml,c.xml
Existing Replacement
[mask]
mask_files = ["a.xml", "b.xml", "c.xml"]
Replacement
[mask]
[mask.spatial.rear] # Or front
detector_rows = [h1, h2, h3, ...hn]
Existing Example
mask/rear h100
mask/rear h200
Existing Replacement
[mask]
[mask.spatial.rear]
# Masks horizontal 100 and 200
detector_rows = [100, 200]
Replacement
[mask]
[mask.spatial.rear] # Or front
detector_row_ranges = [[x, y]]
Existing Example
mask h126>h127
Existing Replacement
[mask]
[mask.spatial.rear]
# Masks horizontal 126 AND 127
# Also includes 130-135 to show multiple can be masked
detector_row_ranges = [[126, 127], [130, 135]]
Replacement
[mask]
[mask.spatial.rear] # Or front
detector_rows = [v1, v2, v3, ...vn]
Existing Example
mask/rear v100
mask/rear v200
Existing Replacement
[mask]
[mask.spatial.rear]
# Masks vertical 100 and 200
detector_columns = [100, 200]
Replacement
[mask]
[mask.spatial.rear] # Or front
detector_column_ranges = [[x, y]]
Existing Example
mask v126>v127
Existing Replacement
[mask]
[mask.spatial.rear]
# Masks vertical 126 AND 127
# Also includes 130-135 to show multiple can be masked
detector_column_ranges = [[126, 127], [130, 135]]
Replacement
[mask]
mask_pixels = [n1, n2, ...n]
Existing Example
MASK S123
MASK S456
Existing Replacement
[mask]
mask_pixels = [123, 456]
Replacement
[mask]
[mask.time]
tof = [
{start = x1, stop = y1},
{start = x2, stop = y2},
# ...etc
]
Existing Example
# Note multiple lines can be collapsed into one section
MASK/T 19711.5 21228.5
MASK/T 39354.5 41348.5
Existing Replacement
[mask]
[mask.time]
tof = [
{start = 19711.5, stop = 21228.5},
{start = 39354.5, stop = 41348.5}
]
Replacement Unsupported
Replacement
beamstop_shadow = {width = x, angle = y}
Existing Example:
MASK/LINE 30 170
Existing Replacement
[mask]
beamstop_shadow = {width = 0.03, angle = 170.0}
Replacement
[detector]
[detector.calibration.direct]
rear_file = "filename"
front_file = "filename"
Existing Example:
MON/DIRECT=DIRECT_RUN524.dat
Existing Replacement
[detector]
[detector.calibration.direct]
rear_file = "DIRECT_RUN524.dat"
front_file = "DIRECT_RUN524.dat"
Replacement
[detector]
[detector.calibration.flat]
rear_file = "str"
Existing Example:
MON/FLAT="flat_file.091"
Existing Replacement
[detector]
[detector.calibration.flat]
rear_file = "flat_file.091"
Replacement Unsupported
[normalisation]
#Normalisation monitor
# This name is used below so if there was a monitor called FOO1
# this would work with it
selected_monitor = "M1"
[normalisation.monitor.M1]
spectrum_number = n
Existing Example:
MON/SPECTRUM=1
Existing Replacement
[normalisation]
#Normalisation monitor
# This name is used below so if there was a monitor called FOO1
# this would work with it
selected_monitor = "M1"
[normalisation.monitor.M1]
spectrum_number = 1
Replacement
[q_resolution]
enabled = true # Or false
Existing Example:
QRESOL/ON
Existing Replacement
[q_resolution]
enabled = true # Or false
Replacement
[q_resolution]
h1 = x
h2 = x
w1 = x
w2 = x
Existing Example:
QRESOL/H1=16.0
QRESOL/H2=8.0
QRESOL/W1=16.0
QRESOL/W2=8.0
Existing Replacement
[q_resolution]
h1 = 16.0
h2 = 8.0
w1 = 16.0
w2 = 8.0
Replacement
[instrument.configuration]
sample_offset = n
Existing Example:
SAMPLE/OFFSET -60
Existing Replacement
[instrument.configuration]
sample_offset = -0.06
[detector]
[detector.configuration]
front_centre = {x=a, y=b}
rear_centre = {x=c, y=d}
Existing Example:
set centre 84.2 -196.5 5.1 5.1
Existing Replacement
[detector]
[detector.configuration]
# Note for identical results the values will
# only take a and b in the above example due to a bug
# with the legacy user file parser
front_centre = {x=0.0842, y=-0.1965}
rear_centre = {x=0.0842, y=-0.1965}
[detector]
[detector.configuration]
front_scale = b
rear_scale = a
Existing Example:
set scales 1.497 1.0 1.0 1.0 1.0
Existing Replacement
[detector]
[detector.configuration]
front_scale = 1.0
rear_scale = 1.497
Replacement
[transmission]
# Where Mn is arbitrary but must match the section label
selected_monitor = "Mn"
[transmission.monitor.Mn]
spectrum_number = n
Existing Example:
TRANS/TRANSPEC=3
Existing Replacement
[transmission]
selected_monitor = "M3"
[transmission.monitor.M3]
spectrum_number = 3
Replacement
[detector]
[detector.calibration.tube]
file = "str"
Existing Example:
TUBECALIBFILE=Tube.nxs
Existing Replacement
[detector]
[detector.calibration.tube]
file = "Tube.nxs"
Category: Techniques