Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "633c0a768a14bd8aeefab3b56ff2ac69",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.134,
"b": 74.526,
"c": 118.438,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.170,1.780],
"number_observations_unique": 47612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.780],
"number_observations": 8796,
"number_observations_unique": 2597,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.639
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 1.013
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.438
}
]
},
{
"resolution_limits": [48.170,6.890],
"number_observations": 2142,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}