主题:【已应助】请问岛津数据库里面有*.SPC格式文件吗?岛津数据库里还有其它格式的文件?谢谢

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请问岛津数据库里面有*.SPC格式文件吗?岛津数据库里还有其它格式的文件?谢谢。
推荐答案:安平回复于2021/11/16
    shimadzu的谱库文件由多个文件组成。标准谱库和用户自检谱库的文件类型有所不同。

    *.lib是主文件

    *.spc 存放质谱图
    *.fom 存放分子式
    *.name 存放组分名称。

下面引自说明书   

NIST20-1.LIB        Includes header information about the NIST Library and compound information, including molecular weights and CAS registration numbers.
NIST20-1.FOM      Contains compound composition formulas.
NIST20-1.SPC        Contains spectra information for compounds. It uses it to calculate the similarity index by the similarity search.
NIST20-1.NAM      Contains compound names.
NIST20-1.STR        Contains molecular structures of compounds.
NIST20-1.NCV      Contains index information to facilitate access to the database.
NIST20-1.ADD      Contains spectra information for compounds. It uses it in the display and the report of the search result.
NIST20-1.C2S Contains index information referred to molecular structure in this library from private library.

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    shimadzu的谱库文件由多个文件组成。标准谱库和用户自检谱库的文件类型有所不同。

    *.lib是主文件

    *.spc 存放质谱图
    *.fom 存放分子式
    *.name 存放组分名称。

下面引自说明书   

NIST20-1.LIB        Includes header information about the NIST Library and compound information, including molecular weights and CAS registration numbers.
NIST20-1.FOM      Contains compound composition formulas.
NIST20-1.SPC        Contains spectra information for compounds. It uses it to calculate the similarity index by the similarity search.
NIST20-1.NAM      Contains compound names.
NIST20-1.STR        Contains molecular structures of compounds.
NIST20-1.NCV      Contains index information to facilitate access to the database.
NIST20-1.ADD      Contains spectra information for compounds. It uses it in the display and the report of the search result.
NIST20-1.C2S Contains index information referred to molecular structure in this library from private library.

symmacros
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原文由 安平(byron1111) 发表:
    shimadzu的谱库文件由多个文件组成。标准谱库和用户自检谱库的文件类型有所不同。

    *.lib是主文件

    *.spc 存放质谱图
    *.fom 存放分子式
    *.name 存放组分名称。

下面引自说明书   

NIST20-1.LIB        Includes header information about the NIST Library and compound information, including molecular weights and CAS registration numbers.
NIST20-1.FOM      Contains compound composition formulas.
NIST20-1.SPC        Contains spectra information for compounds. It uses it to calculate the similarity index by the similarity search.
NIST20-1.NAM      Contains compound names.
NIST20-1.STR        Contains molecular structures of compounds.
NIST20-1.NCV      Contains index information to facilitate access to the database.
NIST20-1.ADD      Contains spectra information for compounds. It uses it in the display and the report of the search result.
NIST20-1.C2S Contains index information referred to molecular structure in this library from private library.

非常感谢安平老师!
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