Closed anicastri closed 2 months ago
Hi Annalisa,
I think it was due to the version incompatibility of the Python packages.
C:\ProgramData\Anaconda3\lib\site-packages\pandas\core\computation\expressions.py:21: UserWarning: Pandas requires version '2.8.4' or newer of 'numexpr' (version '2.7.3' currently installed).
from pandas.core.computation.check import NUMEXPR_INSTALLED
C:\ProgramData\Anaconda3\lib\site-packages\pandas\core\arrays\masked.py:60: UserWarning: Pandas requires version '1.3.6' or newer of 'bottleneck' (version '1.3.2' currently installed).
from pandas.core import (
Traceback (most recent call last):
File "C:\ProgramData\Anaconda3\lib\runpy.py", line 197, in _run_module_as_main
return _run_code(code, main_globals, None,
File "C:\ProgramData\Anaconda3\lib\runpy.py", line 87, in _run_code
exec(code, run_globals)
File "C:\ProgramData\Anaconda3\Scripts\easypqp.exe\__main__.py", line 4, in <module>
File "C:\ProgramData\Anaconda3\lib\site-packages\easypqp\main.py", line 10, in <module>
from .library import generate
File "C:\ProgramData\Anaconda3\lib\site-packages\easypqp\library.py", line 24, in <module>
import statsmodels.api as sm
File "C:\ProgramData\Anaconda3\lib\site-packages\statsmodels\api.py", line 9, in <module>
from . import regression
File "C:\ProgramData\Anaconda3\lib\site-packages\statsmodels\regression\__init__.py", line 1, in <module>
from .linear_model import yule_walker
File "C:\ProgramData\Anaconda3\lib\site-packages\statsmodels\regression\linear_model.py", line 46, in <module>
import statsmodels.base.model as base
File "C:\ProgramData\Anaconda3\lib\site-packages\statsmodels\base\model.py", line 16, in <module>
from statsmodels.tools.numdiff import approx_fprime
File "C:\ProgramData\Anaconda3\lib\site-packages\statsmodels\tools\numdiff.py", line 51, in <module>
EPS = np.MachAr().eps
File "C:\ProgramData\Anaconda3\lib\site-packages\numpy\__init__.py", line 362, in __getattr__
raise AttributeError("module {!r} has no attribute "
AttributeError: module 'numpy' has no attribute 'MachAr'
Traceback (most recent call last):
File "C:\FragPipe\fragpipe-22\tools\speclib\gen_con_spec_lib.py", line 580, in <module>
main()
File "C:\FragPipe\fragpipe-22\tools\speclib\gen_con_spec_lib.py", line 552, in main
main_easypqp(params, irt_df, allcmds, easypqp_convert_cmds)
File "C:\FragPipe\fragpipe-22\tools\speclib\gen_con_spec_lib.py", line 306, in main_easypqp
subprocess.run([os.fspath(params.easypqp), '--version'], check=True)
File "C:\ProgramData\Anaconda3\lib\subprocess.py", line 528, in run
raise CalledProcessError(retcode, process.args,
subprocess.CalledProcessError: Command '['C:\\ProgramData\\Anaconda3\\Scripts\\easypqp.exe', '--version']' returned non-zero exit status 1.
Process 'SpecLibGen' finished, exit code: 1
Process returned non-zero exit code, stopping
Could you run the following command to uninstall and install EasyPQP to see if it will resolve your problem
pip uninstall EasyPQP
pip uninstall pandas
pip uninstall EasyPQP
BTW, what is your Pythons version? Also, we normally do not recommend using Anaconda because it has two package management systems: pip and conda, which makes it more complicated.....
Best,
Fengchao
Good evening, thank you for your help, I really appreciate it. Unfortunately, I still have the same issue after following your instructions, please find attached file. log_2024-07-17_21-25-18.txt Best wishes Annalisa
This time, there are no IDs from your data. Please double check your settings and data
*********************MASS CALIBRATION AND PARAMETER OPTIMIZATION*******************
-----|---------------|---------------|---------------|---------------
| MS1 (Old) | MS1 (New) | MS2 (Old) | MS2 (New)
-----|---------------|---------------|---------------|---------------
Run | Median MAD | Median MAD | Median MAD | Median MAD
001 | Not enough data to perform mass calibration. Using the uncalibrated data.
002 | Not enough data to perform mass calibration. Using the uncalibrated data.
003 | Not enough data to perform mass calibration. Using the uncalibrated data.
004 | Not enough data to perform mass calibration. Using the uncalibrated data.
005 | Not enough data to perform mass calibration. Using the uncalibrated data.
006 | Not enough data to perform mass calibration. Using the uncalibrated data.
-----|---------------|---------------|---------------|---------------
Finding the optimal parameters:
-------|-------|-------|-------|-------|-------|-------
MS2 | 7 | 10 | 15 | 20 | 25 | 30
-------|-------|-------|-------|-------|-------|-------
Count | 0| 0| 0| 0| 0| 0
-------|-------|-------|-------|-------|-------|-------
-------|-------|-------|-------|-------
Peaks | 300_0 | 200_0 | 150_1 | 100_1
-------|-------|-------|-------|-------
Count | 0| 0| 0| 0
-------|-------|-------|-------|-------
-------|-------
Int. | 0
-------|-------
Count | 0
-------|-------
-------|-------
Rm P. | 0
-------|-------
Count | 0
-------|-------
Best,
Fengchao
In case you don't know, there were also no IDs from the DIA files in your first log file.
001. F120191219_PF_C1R-B5701_w632_MS_12122019_S1_DIA_Q1.mzML 1.5 s | deisotoping 0.5 s
[progress: 4124/4124 (100%) - 1795 spectra/s] 2.3s | postprocessing 0.1 s
002. F120191219_PF_C1R-B5701_w632_MS_12122019_S1_DIA_Q2.mzML 0.8 s | deisotoping 0.2 s
[progress: 10451/10451 (100%) - 46040 spectra/s] 0.2s | postprocessing 0.0 s
003. F120191219_PF_C1R-B5701_w632_MS_12122019_S1_DIA_Q3.mzML 0.2 s | deisotoping 0.4 s
[progress: 3227/3227 (100%) - 31950 spectra/s] 0.1s | postprocessing 0.0 s
004. F120191219_PF_C1R-B5701_w632_MS_12122019_S2_DIA_Q1.mzML 0.2 s | deisotoping 0.0 s
[progress: 2950/2950 (100%) - 14115 spectra/s] 0.2s | postprocessing 0.0 s
005. F120191219_PF_C1R-B5701_w632_MS_12122019_S2_DIA_Q2.mzML 0.4 s | deisotoping 0.0 s
[progress: 7662/7662 (100%) - 37014 spectra/s] 0.2s | postprocessing 0.0 s
006. F120191219_PF_C1R-B5701_w632_MS_12122019_S2_DIA_Q3.mzML 0.2 s | deisotoping 0.0 s
[progress: 2727/2727 (100%) - 27000 spectra/s] 0.1s | postprocessing 0.0 s
007. F120191219_PF_C1R-B5701_w632_MS_12122019_S3_DIA_Q1.mzML 0.1 s | deisotoping 0.0 s
[progress: 3056/3056 (100%) - 15204 spectra/s] 0.2s | postprocessing 0.0 s
008. F120191219_PF_C1R-B5701_w632_MS_12122019_S3_DIA_Q2.mzML 0.1 s | deisotoping 0.0 s
[progress: 7644/7644 (100%) - 35064 spectra/s] 0.2s | postprocessing 0.0 s
009. F120191219_PF_C1R-B5701_w632_MS_12122019_S3_DIA_Q3.mzML 0.1 s | deisotoping 0.0 s
[progress: 2535/2535 (100%) - 24853 spectra/s] 0.1s | postprocessing 0.0 s
010. F120190510_PF_C1R_B5701_Library_W632_MS_pool1.mzML 7.6 s | deisotoping 0.2 s
[progress: 33379/33379 (100%) - 40558 spectra/s] 0.8s | postprocessing 0.1 s
011. F120190510_PF_C1R_B5701_Library_W632_MS_pool2.mzML 8.1 s | deisotoping 0.1 s
[progress: 34558/34558 (100%) - 26240 spectra/s] 1.3s | postprocessing 0.1 s
012. F120190510_PF_C1R_B5701_Library_W632_MS_pool3.mzML 6.2 s | deisotoping 0.0 s
[progress: 34653/34653 (100%) - 42887 spectra/s] 0.8s | postprocessing 0.1 s
***************************FIRST SEARCH DONE IN 1.716 MIN**************************
*********************MASS CALIBRATION AND PARAMETER OPTIMIZATION*******************
-----|---------------|---------------|---------------|---------------
| MS1 (Old) | MS1 (New) | MS2 (Old) | MS2 (New)
-----|---------------|---------------|---------------|---------------
Run | Median MAD | Median MAD | Median MAD | Median MAD
001 | Not enough data to perform mass calibration. Using the uncalibrated data.
002 | Not enough data to perform mass calibration. Using the uncalibrated data.
003 | Not enough data to perform mass calibration. Using the uncalibrated data.
004 | Not enough data to perform mass calibration. Using the uncalibrated data.
005 | Not enough data to perform mass calibration. Using the uncalibrated data.
006 | Not enough data to perform mass calibration. Using the uncalibrated data.
007 | Not enough data to perform mass calibration. Using the uncalibrated data.
008 | Not enough data to perform mass calibration. Using the uncalibrated data.
009 | Not enough data to perform mass calibration. Using the uncalibrated data.
010 | 0.23 0.63 | -0.07 0.55 | -1.22 4.19 | 0.25 4.09
011 | 0.33 0.65 | 0.09 0.52 | -1.08 4.34 | 0.34 4.29
012 | 0.10 0.64 | 0.05 0.53 | -1.12 4.47 | 0.44 4.32
-----|---------------|---------------|---------------|---------------
And, the DIA files in the first and second log files are totally different
Fragment index slice generated in 11.71 s
001. 20210625_HORMAD1_100ng_DIA_12w_Q1.mzML 0.6 s | deisotoping 0.0 s
[progress: 27/27 (100%) - 235 spectra/s] 0.1s | postprocessing 0.0 s
002. 20210625_HORMAD1_100ng_DIA_12w_Q2.mzML 0.1 s | deisotoping 0.0 s
[progress: 99/99 (100%) - 900 spectra/s] 0.1s | postprocessing 0.0 s
003. 20210625_HORMAD1_100ng_DIA_12w_Q3.mzML 0.0 s | deisotoping 0.0 s
[progress: 20/20 (100%) - 183 spectra/s] 0.1s | postprocessing 0.0 s
004. 20210625_HORMAD1_100ng_DIA_25w_Q1.mzML 0.1 s | deisotoping 0.0 s
[progress: 148/148 (100%) - 1410 spectra/s] 0.1s | postprocessing 0.0 s
005. 20210625_HORMAD1_100ng_DIA_25w_Q2.mzML 0.3 s | deisotoping 0.0 s
[progress: 581/581 (100%) - 5330 spectra/s] 0.1s | postprocessing 0.0 s
006. 20210625_HORMAD1_100ng_DIA_25w_Q3.mzML 0.0 s | deisotoping 0.0 s
[progress: 223/223 (100%) - 1956 spectra/s] 0.1s | postprocessing 0.0 s
***************************FIRST SEARCH DONE IN 0.320 MIN**************************
*********************MASS CALIBRATION AND PARAMETER OPTIMIZATION*******************
-----|---------------|---------------|---------------|---------------
| MS1 (Old) | MS1 (New) | MS2 (Old) | MS2 (New)
-----|---------------|---------------|---------------|---------------
Run | Median MAD | Median MAD | Median MAD | Median MAD
001 | Not enough data to perform mass calibration. Using the uncalibrated data.
002 | Not enough data to perform mass calibration. Using the uncalibrated data.
003 | Not enough data to perform mass calibration. Using the uncalibrated data.
004 | Not enough data to perform mass calibration. Using the uncalibrated data.
005 | Not enough data to perform mass calibration. Using the uncalibrated data.
006 | Not enough data to perform mass calibration. Using the uncalibrated data.
-----|---------------|---------------|---------------|---------------
Finding the optimal parameters:
Best,
Fengchao
thank you very much! Maybe I have done something wrong when I converted the raw file in mzML format. Best Annalisa
No problem. You could share one DIA file and the fasta file with me to take a look if you want.
Best,
Fengchao
Good morning FengChao, thank you very much for your help and support. I started a new search after converting again the raw files in mzML and the search run correctly. thank you again for helping me to solve my issue. Best Annalisa
log_2024-07-04_13-17-58.zip
Hi, I am writing you as I have an issue running nonspecific- HLA-DIA search with the new FragPipe version v22.0. I am really grateful if you could help me with this. Thank you in advance Annalisa