Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6da87cfceac039fc4502a8a04b0f4f10",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.918,
"b": 69.002,
"c": 116.702,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.396,1.421],
"number_observations": 105773,
"number_observations_unique": 20816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.591,1.421],
"number_observations": 5986,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.148
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [59.396,4.670],
"number_observations": 5164,
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}