Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebfcb5d3ddb1ac784d0fda9575f4455b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.197,
"b": 77.446,
"c": 116.682,
"alpha": 90.0,
"beta": 102.7,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.45,1.54],
"number_observations_unique": 134415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [77.45,8.43],
"number_observations_unique": 6531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.57,1.54],
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.381
},
{
"type": "R(pim)",
"value": 0.967
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
}
]
}