Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b1808c3f02e724bd6d568c5798123b9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 85.979,
"b": 103.727,
"c": 108.920,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.860,3.000],
"number_observations": 53759,
"number_observations_unique": 10015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.061
},
{
"type": "R(meas)",
"value": 1.166
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [51.860,9.010],
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}