Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c4d3be895df52ac2169819f62e4cc39",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 134.276,
"b": 134.276,
"c": 115.290,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97717],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.880,2.100],
"number_observations": 267159,
"number_observations_unique": 23412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 22459,
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [81.880,8.910],
"number_observations": 3416,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}