Dataset: Raman Spectroscopy as a Comprehensive Tool for Profiling Endospore-forming Bacteria

Dataset: Raman Spectroscopy as a Comprehensive Tool for Profiling Endospore-forming Bacteria (published in Analyst, 2025, 150, 1652-1661. DOI: 10.1039/D5AN00115C)

Raman spectra of single endospores with an excitation wavelength of 532 nm. Each endospore was measured in duplicate by the system.

The data description is the following:

Strains used in the dataset:

Species
Strain
Label

Bacillus cereus

DSM345

DSM351

B. cereus DSM345

B. cereus DSM351

Bacillus mycoides
ATCC6462
B. mycoides ATCC6462

Bacillus spizizenii
DSM6399
B. spizizenii DSM6399

Bacillus thuringiensis
DSM350
B. thuringiensis DSM350

Lysinibacillus sphaericus
DSM28
L. sphaericus DSM28

Bacillus licheniformis
DSM13
B. licheniformis DSM13

Paraclostridium sordellii
ATCC9714
P. sordellii ATCC9714

Clostridioides difficile

DSM27638

DSM27640

DSM28196

DSM28645

DSM27147

DSM27543

DSM27544

DSM27639

UK062

UK127

C. difficile DSM27638

C. difficile DSM27640

C. difficile DSM28196

C. difficile DSM28645

C. difficile DSM27147

C. difficile DSM27543

C. difficile DSM27544

C. difficile DSM27639

C. difficile UK062

C. difficile UK127

Clostridium perfringens

UK063

ATCC13124

C. perfringens UK063

C. perfringens ATCC13124

Clostridium sporogenes
DSM1664
C. sporogenes DSM1664

Clostridium butyricum
DSM2478
C. butyricum DSM2478

Clostridium tertium
DSM662
C. tertium DSM662

Clostridium beijerinckii
DSM53
C. beijerinckii DSM53

Clostridium felsineum
DSM51
C. felsineum DSM51

Clostridium cadaveris
DSM1284
C. cadaveris DSM1284

Clostridium septicum
DSM7534
C. septicum DSM7534

Datasets:

Folder structure: RAW = raw data acquired from the measuring device; DATA = sorted and pre-processed data with metadata excel file for Ramanmetrix; RESULTS = contains all data files that can be downloaded from the Ramanmetrix software.

Calcium vs. Magnesium vs. Manganese: Single cell Raman spectra of B. cereus DSM351 and C. butyricum DSM2478 cultivated on nutrient agar supplemented with either calcium, magnesium or manganese; calibration standard 4-AAP; Single cell analysis with 532 nm excitation

Endospore Data: classification and validation data of the main endospore data set; each species was measured in three biological replicates with 50-100 single spore Raman spectra each; vegetative cells were measured also in three biological replicates with 50-100 single cell Raman spectra each; both morphology types were measured with 532 nm excitation; calibration standard 4-AAP

Endospore Development: Single spore analysis of endospore development from a vegetative cell to a mature endospore; not a time series but rather individual spectra from within the same sample; sample name C. difficile UK127; measured with 532 nm excitation; calibration standard 4-AAP

Data structure for Ramanmetrix can be found in the metadata files in each DATA folder.

Individual spectra are in the folders sorted by the date they were measured.