Data specification

接受 .xy .xye .csv .dat .txt .xrdml。文本通常前两列为 2θ（度）与强度；XYE 的第三列不用于预览。支持带表头的数值列、Rigaku Scan points 与 PANalytical XRDML。请勿上传仅有图片或 PDF 的曲线。

有效曲线包含 2–1,000,000 个有限数值点，2θ 非负且在解析排序后严格递增，至少一个强度大于零。当前解析器跳过不能识别的行和负强度，请核对预览并保留仪器原始文件；本网站预览不是精修工具。

Accepted extensions: .xy .xye .csv .dat .txt .xrdml. Text normally supplies 2θ in degrees and intensity in its first two columns. A third XYE column is not used in previews. Header-based columns, Rigaku Scan points and PANalytical XRDML are supported. Images and PDFs are not measured-pattern inputs.

Valid patterns contain 2–1,000,000 finite points, nonnegative angles increasing strictly after parsing and sorting, and at least one positive intensity. Unrecognized rows and negative intensities are skipped by the current parser: inspect the preview and retain the instrument originals. This preview is not a refinement tool.

CIF 必须为 UTF-8 文本，能解析出晶胞及原子结构，体积为正，每个结构最多 5,000 个位点。当前不接受磁性变换字段。单相一个 CIF；多相至少两个、最多 20 个。每相提供相名、化学式和对应文件。

单个 CIF 不超过 5 MiB；所有文件加表单开销不超过 25 MiB。替换时先校验全部文件，任一失败不发布。重复文件名会规范化；网页保存的曲线命名为 PATTERN.ext。

CIFs must be UTF-8 text that parses into a cell and atomic structure, with positive volume and at most 5,000 sites. Magnetic transformation fields are currently rejected. Use one CIF for a single phase, or 2–20 CIFs for multiple phases; name each phase and supply its formula.

Each CIF is limited to 5 MiB; all files plus form overhead must fit within 25 MiB. Replacements validate every file before publication. Filenames are normalized, and the measured pattern is saved as PATTERN.ext.

必填样品、靶材、测试日期和贡献者；手动指认还需化学式和相名。波长单位 Å，必须为有限正数且不超过 10。Cu Kα 默认 1.5406 Å；其他辐射源必须填写实际波长，不能仅更改靶材标签。

建议记录机构、仪器、批次、制备方法、扫描条件、校准、CIF 来源、DOI、许可和异常情况。自由备注保存在 NOTE.txt；表单单字段最多保留 500 个字符，多行元数据会规范化为一行。

Sample, target, measurement date and contributor are required. Manual assignment also needs formula and phase names. Wavelength is in Å, must be finite and positive, and cannot exceed 10. Cu Kα defaults to 1.5406 Å; other radiation sources require their actual wavelength.

Also record institution, instrument, batch, preparation, scan conditions, calibration, CIF source, DOI, license and anomalies. Notes are saved in NOTE.txt. Form fields retain up to 500 characters; line breaks in metadata are normalized.

网页按测试日期建立独立记录目录，同名自动加序号。手动导入须由运维在停止服务后进行，保留原始文件和来源，禁止把其他目录的符号链接当作实验文件。

Web uploads create one folder per experiment under its measurement date; collisions receive a suffix. Manual imports are an operator action while the service is stopped. Preserve original files and source attribution; do not use symlinks to external files.

旧版 needs_review 同时有审核人、日期时兼容为未通过，发表信息补充例外；仅浏览不会改写旧文件。识别状态与审核状态分别保存，自动匹配不会自动通过。

Legacy needs_review entries with reviewer and date are interpreted as not approved, except publication supplements. Browsing does not rewrite the original files. Identification and review statuses are separate; automatic matching never approves a record.

引用 Xchange 项目及具体记录的贡献者、RECORD_ID、VERSION、原始文献／数据库。许可按每条记录和原始来源确认；缺少许可不能视为无条件授权。RRUFF、Materials Project 和其他第三方内容保留各自权利与引用要求。

Cite Xchange and the specific contributor, RECORD_ID, VERSION, source publication or database. Check each record and source license; a missing license does not imply unrestricted permission. RRUFF, Materials Project and other third-party data retain their own rights and attribution requirements.