CheckCIF-DIFF

以下所列的DIFF系列检查条目在当前的CheckCIF服务器列表(http://journals.iucr.org/services/cif/datavalidation.html)中已不存在，应该已经改用其它条目了，大家了解一下即可。

DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing

Diffractometer make and type. Replaces _diffrn_measurement_type.

警告原因：衍射设备类型缺失。

解决策略：根据实际情况填写衍射设备类型，例如Bruker衍射仪的Bruker APEX-II CCD。

DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing

Diffractometer make and type. Replaces _diffrn_measurement_type.

DIFF005_ALERT_1_A_diffrn_measurement_method is missing

Mode of intensity measurement and scan.

DIFF019_ALERT_1_A_diffrn_standards_number is missing

Number of standards used in measurement.

DIFF020_ALERT_1_A_diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards.

DIFF022_ALERT_1_A_diffrn_standards_decay_% is missing

Percentage decrease in standards intensity

解决策略：用pcf文件中相应的内容替换cif文件中的“?”

将cif文件中的

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  ?

_diffrn_measurement_method      ?

改为

_diffrn_radiation_source         'fine-focus sealed tube'

_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'

_diffrn_measurement_method     'phi and omega scans'

上面只是某个具体的例子，自己的数据还是要根据实际的仪器信息去填写相应的各项测试仪器信息。