Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e5deebccefbb110819cce46d2da9083",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.544,
"b": 62.730,
"c": 74.365,
"alpha": 90.0,
"beta": 126.2,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.930,1.670],
"number_observations": 208967,
"number_observations_unique": 50314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 10005,
"number_observations_unique": 2442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [47.930,8.990],
"number_observations": 1110,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}