Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da5656cad355d2c7d9a201b72a2b820f",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 231.66,
"b": 231.66,
"c": 231.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.370,3.790],
"number_observations_unique": 20596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [4.150,3.790],
"number_observations": 92817,
"number_observations_unique": 4861,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.502
},
{
"type": "R(meas)",
"value": 4.625
},
{
"type": "R(pim)",
"value": 1.048
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [49.370,9.290],
"number_observations": 25298,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}