Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c2beedb3425294e54f556d0157aac23",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.273,
"b": 88.968,
"c": 84.749,
"alpha": 90.00,
"beta": 110.34,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.890,2.710],
"number_observations": 95934,
"number_observations_unique": 26108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.860,2.710],
"number_observations": 14991,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 0.899
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [65.890,8.570],
"number_observations": 3024,
"number_observations_unique": 869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}