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EBAS-DATA-PROCESSING
CiGas-processing-software
PTR-MS
Commits
2d1e5893
Commit
2d1e5893
authored
1 month ago
by
Aurelien Chauvigne
Browse files
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add level 1.5 support
parent
1e6c3477
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2 changed files
src/algo/ptrms_lib
+1
-1
1 addition, 1 deletion
src/algo/ptrms_lib
src/converter/PtrmsConverter.py
+127
-70
127 additions, 70 deletions
src/converter/PtrmsConverter.py
with
128 additions
and
71 deletions
ptrms_lib
@
27c3fd3e
Subproject commit
7057043e2685c422441ab228f0e670036cbf970a
Subproject commit
27c3fd3e513d28dc4df5915fc657d89d867c7852
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src/converter/PtrmsConverter.py
+
127
−
70
View file @
2d1e5893
...
...
@@ -101,11 +101,11 @@ class PtrmsConverter(Converter.Converter):
@param year year of the eventual yearly synthesis
"""
outdir
=
os
.
path
.
abspath
(
outdir
)
# level 1 only
for
lvl
in
levels
:
for
lvl
in
[
levels
]
:
start_time
=
time
.
time
()
if
__DEBUG__
:
print
(
"
*
"
*
20
+
"
LEVEL %
d
"
%
lvl
+
"
*
"
*
20
)
print
(
"
*
"
*
20
+
"
LEVEL %
s
"
%
lvl
+
"
*
"
*
20
)
try
:
self
.
process_lvl
(
infiles
,
conf_file
,
cache_dir
,
outdir
,
lvl
,
hour
)
except
Exception
as
e
:
...
...
@@ -117,7 +117,7 @@ class PtrmsConverter(Converter.Converter):
if
__DEBUG__
:
print
(
"
*
"
*
20
+
"
LEVEL %
d
"
%
lvl
+
"
LEVEL %
s
"
%
lvl
+
"
:
"
+
time
.
strftime
(
"
%H:%M:%S
"
,
time
.
gmtime
(
time
.
time
()
-
start_time
))
+
"
*
"
*
20
...
...
@@ -204,6 +204,8 @@ class PtrmsConverter(Converter.Converter):
prog_ptrms_lib
.
process
(
indata
,
year
,
levels
=
[
0
])
)
self
.
var_ids_std
=
[
var_id
+
"
_std
"
for
var_id
in
self
.
lev1_mz
]
# group outputs
indata
=
{}
outdata
=
{}
...
...
@@ -212,24 +214,34 @@ class PtrmsConverter(Converter.Converter):
indata
[
Product
.
START_ACQ_ID
]
=
raw_data_filtered
[
Product
.
START_ACQ_ID
]
indata
[
Product
.
END_ACQ_ID
]
=
raw_data_filtered
[
Product
.
END_ACQ_ID
]
t_start
=
datetime
(
year
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
month
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
day
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
hour
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
minute
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
second
)
t_end
=
datetime
(
year
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
END_ACQ_ID
])).
month
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
END_ACQ_ID
])).
day
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
END_ACQ_ID
])).
hour
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
END_ACQ_ID
])).
minute
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
END_ACQ_ID
])).
second
)
for
var_id
in
self
.
var_ids_env
:
indata
[
var_id
]
=
raw_data_filtered
[
var_id
]
if
lvl
==
2
:
if
lvl
==
"
1.5
"
:
# - set output time axis of level 2 products
dt
=
3600
# hour by hour
d_start
=
datetime
(
year
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
month
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
day
,
TimeConverter
.
doy2dt
(
year
,
min
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
hour
,
0
,
0
)
d_end
=
datetime
(
year
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
month
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
day
,
TimeConverter
.
doy2dt
(
year
,
max
(
raw_data_filtered
[
Product
.
START_ACQ_ID
])).
hour
,
0
,
0
)
+
timedelta
(
hours
=
1
)
d_start
=
t_start
(
minutes
=
0
,
seconds
=
0
)
d_end
=
t_end
(
minutes
=
0
,
seconds
=
0
)
+
timedelta
(
hours
=
1
)
# d_end = datetime(year,
# TimeConverter.doy2dt(year, max(raw_data_filtered[Product.START_ACQ_ID])).month,
# TimeConverter.doy2dt(year, max(raw_data_filtered[Product.START_ACQ_ID])).day,
# TimeConverter.doy2dt(year, max(raw_data_filtered[Product.START_ACQ_ID])).hour,
# 0,
# 0) + timedelta(hours=1)
ts_start
=
calendar
.
timegm
(
d_start
.
timetuple
())
ts_end
=
calendar
.
timegm
(
d_end
.
timetuple
())
...
...
@@ -247,18 +259,17 @@ class PtrmsConverter(Converter.Converter):
shape
=
v_start_time
.
shape
# - init other output parametres buffers
for
var_id
in
self
.
var_ids_env
+
self
.
lev1_mz
+
self
.
var_ids_flag
:
for
var_id
in
self
.
lev1_mz
+
self
.
var_ids_flag
+
self
.
var_ids_std
:
outdata
[
var_id
]
=
numpy
.
empty
(
shape
,
dtype
=
numpy
.
float64
)
+
self
.
get_fill
(
var_id
)
else
:
raise
ValueError
(
"
ERROR: only level 0, 1 or 2 are requested for ACTRIS
"
)
outdata
=
indata
# - acquisition time
v_start_acq_in
=
indata
[
Product
.
START_ACQ_ID
]
v_start_acq_out
=
outdata
[
Product
.
START_ACQ_ID
]
t_start
=
min
(
v_start_acq_in
)
t_start
=
calendar
.
timegm
(
t_start
.
timetuple
()
)
# get header
fname
,
sout
,
_
=
self
.
get_header
(
t_start
,
lvl
,
v_start_acq_out
,
year
)[:
3
]
...
...
@@ -277,20 +288,27 @@ class PtrmsConverter(Converter.Converter):
v_start_acq_out
=
outdata
[
"
start_acq
"
]
v_end_acq_out
=
outdata
[
"
end_acq
"
]
sz
=
len
(
v_start_acq_out
)
if
lvl
==
2
:
if
lvl
==
"
1.5
"
:
# - averaging
for
i
in
range
(
sz
):
# select records in out time range
ts_min
=
TimeConverter
.
ts2dt
(
v_start_acq_out
[
i
])
ts_max
=
TimeConverter
.
ts2dt
(
v_end_acq_out
[
i
])
# print(ts_min, ts_max)
# input()
s
=
((
v_start_acq_in
.
index
>=
ts_min
)
&
(
v_start_acq_in
.
index
<=
ts_max
))
if
numpy
.
any
(
s
):
# -> computes means and percentiles for concentration
for
var_id
in
self
.
lev1_mz
:
self
.
set_stats_mean
(
indata
[
var_id
],
indata_fill
[
var_id
],
s
,
i
,
outdata
[
var_id
],
self
.
get_fill
(
var_id
))
# -> stddev
_var_id
=
"
{0:s}_{1:s}
"
.
format
(
var_id
,
"
std
"
)
self
.
set_stats_std
(
indata
[
var_id
],
indata_fill
[
var_id
],
s
,
i
,
outdata
[
_var_id
])
if
outdata
[
_var_id
][
i
]
!=
self
.
get_fill
(
_var_id
):
outdata
[
_var_id
][
i
]
=
outdata
[
_var_id
][
i
]
*
2
# -> set flags
for
var_id
,
var_id_flag
in
zip
(
self
.
lev1_mz
,
self
.
var_ids_flag
):
data
=
outdata
[
var_id
][
i
]
...
...
@@ -302,11 +320,17 @@ class PtrmsConverter(Converter.Converter):
outdata
[
var_id_flag
][
i
]
=
0.999
# ts to doy
dt_start_date
=
TimeConverter
.
dt_to_ts
(
datetime
(
year
,
1
,
1
))
outdata
[
"
start_acq
"
]
=
numpy
.
array
(
[(
d
-
dt_start_date
)
/
86400.0
for
d
in
outdata
[
"
start_acq
"
]])
outdata
[
"
end_acq
"
]
=
numpy
.
array
(
[(
d
-
dt_start_date
)
/
86400.0
for
d
in
outdata
[
"
end_acq
"
]])
if
lvl
in
[
"
1.5
"
]:
dt_start_date
=
TimeConverter
.
dt_to_ts
(
datetime
(
year
,
1
,
1
))
outdata
[
"
start_acq
"
]
=
numpy
.
array
(
[(
d
-
dt_start_date
)
/
86400.0
for
d
in
outdata
[
"
start_acq
"
]])
outdata
[
"
end_acq
"
]
=
numpy
.
array
(
[(
d
-
dt_start_date
)
/
86400.0
for
d
in
outdata
[
"
end_acq
"
]])
# convert ppb to ppt
for
var_id
,
var_id_flag
in
zip
(
self
.
lev1_mz
,
self
.
var_ids_flag
):
if
any
(
outdata
[
var_id
][
outdata
[
var_id_flag
]
==
0
]):
outdata
[
var_id
]
*=
1000
# --- write data to output
if
__DEBUG__
:
...
...
@@ -320,23 +344,37 @@ class PtrmsConverter(Converter.Converter):
outdata
[
"
start_acq
"
][
i
],
outdata
[
"
end_acq
"
][
i
]
)
# environmental variables
if
lvl
in
[
"
0
"
,
"
1
"
]:
for
var_id
in
self
.
var_ids_env
:
data
=
outdata
[
var_id
][
i
]
line
+=
"
{0:<20.3f}
"
.
format
(
data
)
qa
=
0.0
if
data
==
self
.
get_fill
(
var_id
):
qa
=
self
.
var_fills_qa
else
:
qa
=
invalid_acq_val
[
var_id
][
i
]
line
+=
"
{0:<20.3f}
"
.
format
(
qa
)
# concentrations coef
for
var_id
in
self
.
var_ids_env
+
self
.
lev1_mz
:
for
var_id
in
self
.
lev1_mz
:
conc
=
outdata
[
var_id
][
i
]
line
+=
"
{0:<20.3f}
"
.
format
(
conc
)
if
lvl
==
"
1.5
"
:
line
+=
"
{0:<20.3f}
"
.
format
(
outdata
[
var_id
+
'
_std
'
][
i
])
qa
=
0.0
if
conc
==
self
.
var_fills_conc
:
qa
=
self
.
var_fills_qa
if
lvl
<
2
:
qa
=
invalid_acq_val
[
var_id
][
i
]
if
var_id
in
self
.
var_ids_env
:
line
+=
"
{0:<20.3f}
"
.
format
(
conc
)
else
:
line
+=
"
{0:<20.3f}
"
.
format
(
conc
)
if
lvl
in
[
"
0
"
,
"
1
"
]:
qa
=
invalid_acq_val
[
var_id
][
i
]
else
:
qa
=
outdata
[
var_id
+
'
_numflag
'
][
i
]
line
+=
"
{0:<20.3f}
"
.
format
(
qa
)
sout
+=
line
.
strip
()
+
os
.
linesep
# write out data
...
...
@@ -363,7 +401,7 @@ class PtrmsConverter(Converter.Converter):
"""
if
var_id
in
[
self
.
QA_FLAGS_ID
]
+
self
.
var_ids_flag
:
return
9.999
elif
var_id
in
self
.
lev1_mz
:
elif
var_id
in
self
.
lev1_mz
+
self
.
var_ids_std
:
return
self
.
var_fills_conc
elif
var_id
in
self
.
var_ids_env
:
return
self
.
var_fills_env
...
...
@@ -420,10 +458,13 @@ class PtrmsConverter(Converter.Converter):
@return the the number of output variables
"""
nvars
=
1
# end time
nvars
+=
1
# status
nvars
+=
len
(
self
.
var_ids_env
)
*
2
# T, P and QA
if
lvl
==
"
0
"
:
nvars
+=
1
# status
if
lvl
in
[
"
0
"
,
"
1
"
]:
nvars
+=
len
(
self
.
var_ids_env
)
*
2
# T, P and QA
nvars
+=
len
(
self
.
lev1_mz
)
*
2
# m/e and QA flag
if
lvl
==
"
1.5
"
:
nvars
+=
len
(
self
.
lev1_mz
)
# std
return
nvars
def
get_time_tags
(
self
,
lvl
,
v_start_acq
,
year
):
...
...
@@ -434,7 +475,7 @@ class PtrmsConverter(Converter.Converter):
"""
dt_raw_tag
=
self
.
reader
.
attributes
[
"
Resolution code
"
]
dt_tag
=
self
.
reader
.
attributes
[
"
Sample duration
"
]
if
lvl
in
[
0
,
1
]:
if
lvl
in
[
"
0
"
,
"
1
"
]:
if
dt_tag
.
endswith
(
"
mn
"
):
dt
=
float
(
dt_tag
.
replace
(
"
mn
"
,
""
))
/
float
(
24
*
60
...
...
@@ -442,12 +483,12 @@ class PtrmsConverter(Converter.Converter):
if
dt_tag
.
endswith
(
"
s
"
):
dt
=
float
(
dt_tag
.
replace
(
"
s
"
,
""
))
/
float
(
24
*
60
*
60
)
period_tag
=
"
1d
"
# NRT mode
elif
lvl
in
[
2
]:
elif
lvl
in
[
"
1.5
"
]:
dt_tag
=
"
1h
"
dt
=
1
/
float
(
24
)
# 1h in decimal day unit
period_tag
=
"
1y
"
else
:
raise
ValueError
(
"
Invalid level %
d
"
%
lvl
)
raise
ValueError
(
"
Invalid level %
s
"
%
lvl
)
return
(
period_tag
,
dt_tag
,
dt
,
dt_raw_tag
)
def
get_vars_fill
(
self
,
lvl
):
...
...
@@ -474,34 +515,40 @@ class PtrmsConverter(Converter.Converter):
@return (vars_long_name, vars_tags)
"""
vars_long_name
=
""
vars_long_name
+=
(
"
{0:s}, {1:s}, Location=inlet, Matrix=instrument
"
.
format
(
"
temperature
"
,
"
K
"
)
+
os
.
linesep
)
vars_long_name
+=
"
numflag
_
temperature, no unit
"
+
os
.
linesep
vars_long_name
+=
(
"
{0:s}, {1:s}, Location=inlet, Matrix=instrument
"
.
format
(
"
pressure
"
,
"
hPa
"
)
+
os
.
linesep
)
vars_long_name
+=
"
numflag
_
pressure, no unit
"
+
os
.
linesep
if
lvl
in
[
"
0
"
,
"
1
"
]:
vars_long_name
+=
(
"
{0:s}, {1:s}, Location=inlet, Matrix=instrument
"
.
format
(
"
temperature
"
,
"
K
"
)
+
os
.
linesep
)
vars_long_name
+=
"
numflag
temperature, no unit
"
+
os
.
linesep
vars_long_name
+=
(
"
{0:s}, {1:s}, Location=inlet, Matrix=instrument
"
.
format
(
"
pressure
"
,
"
hPa
"
)
+
os
.
linesep
)
vars_long_name
+=
"
numflag
pressure, no unit
"
+
os
.
linesep
for
var_id
in
self
.
lev1_mz_name
:
vars_long_name
+=
var_id
+
"
, ppb
"
+
os
.
linesep
vars_long_name
+=
"
numflag_
"
+
var_id
+
"
, no unit
"
+
os
.
linesep
vars_long_name
+=
var_id
+
"
, pmol/mol
"
+
os
.
linesep
if
lvl
==
"
1.5
"
:
vars_long_name
+=
var_id
+
"
, pmol/mol, Statistics=expanded uncertainty 2sigma
"
+
os
.
linesep
vars_long_name
+=
"
numflag
"
+
var_id
+
"
, no unit
"
+
os
.
linesep
vars_long_name
=
vars_long_name
.
strip
()
# tags
vars_tag
=
""
for
var_id
in
self
.
var_ids_env_tag
:
var_id
=
var_id
.
replace
(
"
"
,
"
_
"
)
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
)
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
+
"
_numflag
"
)
if
lvl
in
[
"
0
"
,
"
1
"
]:
for
var_id
in
self
.
var_ids_env_tag
:
var_id
=
var_id
.
replace
(
"
"
,
"
_
"
)
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
)
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
+
"
_numflag
"
)
for
var_id
in
self
.
lev1_mz
:
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
)
if
lvl
==
"
1.5
"
:
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
+
"
_std
"
)
vars_tag
+=
"
{0:<20s}
"
.
format
(
var_id
+
"
_numflag
"
)
vars_tag
=
vars_tag
.
strip
()
return
(
vars_long_name
,
vars_tag
)
...
...
@@ -549,8 +596,8 @@ class PtrmsConverter(Converter.Converter):
# set metdata for level 1
self
.
component
=
"
ion_concentrations
"
self
.
normal_comment_line
=
5
8
self
.
unit
=
"
p
pb
"
self
.
normal_comment_line
=
5
9
self
.
unit
=
"
p
mol/mol
"
# - output filename
fname
=
self
.
get_outfname
(
start_time
,
prod_time
,
lvl
,
v_start_acq
,
year
)
...
...
@@ -561,12 +608,12 @@ class PtrmsConverter(Converter.Converter):
# set type code + dt value : TU time regulary spaced, TI : irregulary
set_type_code
=
"
TU
"
# should always be
if
lvl
in
[
0
,
1
]:
if
lvl
in
[
"
0
"
,
"
1
"
]:
diff
=
numpy
.
diff
(
v_start_acq
)
if
(
diff
.
size
>
0
)
and
not
numpy
.
all
(
diff
==
diff
[
0
]):
set_type_code
=
"
TI
"
dt
=
0
elif
lvl
in
[
2
]:
elif
lvl
in
[
"
1.5
"
]:
dt
=
1
/
float
(
24
)
# 1h in decimal day unit
period_tag
=
"
1y
"
...
...
@@ -585,7 +632,7 @@ class PtrmsConverter(Converter.Converter):
# standard conditions of acquisition
std_temp
=
self
.
acq_temp
std_pres
=
self
.
acq_pres
if
lvl
in
[
"
1
"
,
"
2
"
]:
if
lvl
in
[
"
1
"
,
"
1.5
"
]:
std_temp
=
"
%.2f
"
%
Standardizer
.
T_STD
std_pres
=
"
%.2f
"
%
Standardizer
.
P_STD
...
...
@@ -661,6 +708,16 @@ class PtrmsConverter(Converter.Converter):
"
\t
<conf-file> full path of the configuration file
"
+
os
.
linesep
)
parser
.
add_option
(
"
-l
"
,
"
--levels
"
,
action
=
"
store
"
,
default
=
1
,
type
=
"
str
"
,
dest
=
"
levels
"
,
help
=
"
Processed levels
"
,
)
parser
.
add_option
(
"
-p
"
,
"
--prod-id
"
,
...
...
@@ -708,7 +765,7 @@ def main():
)
infiles
,
conf
,
(
options
,
arg
)
=
PtrmsConverter
.
get_parser
(
__APP__
,
SRC_DIR
)
prog
=
PtrmsConverter
(
options
.
prod_id
)
prog
.
process
(
infiles
,
conf
,
options
.
cache_dir
,
options
.
outdir
,
levels
=
[
2
]
)
prog
.
process
(
infiles
,
conf
,
options
.
cache_dir
,
options
.
outdir
,
levels
=
options
.
levels
)
if
__name__
==
"
__main__
"
:
...
...
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