Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec3a43a5f3a5f0f3813b89097836454f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.67,
"b": 45.29,
"c": 83.36,
"alpha": 90.00,
"beta": 102.42,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.570,2.140],
"number_observations": 88470,
"number_observations_unique": 25529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 5535,
"number_observations_unique": 1808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [42.570,9.570],
"number_observations": 1025,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}