Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72f7034fa0d67bada2e30222611b72d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.205,
"b": 47.212,
"c": 46.393,
"alpha": 90.00,
"beta": 103.43,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.210,1.600],
"number_observations": 45256,
"number_observations_unique": 14130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 2165,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [47.210,8.770],
"number_observations": 323,
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}