Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df1daa0ff14e8819dec51e1cfa1085ec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.773,
"b": 103.973,
"c": 108.966,
"alpha": 90.000,
"beta": 104.037,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.490,1.850],
"number_observations": 746171,
"number_observations_unique": 161235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 37901,
"number_observations_unique": 8098,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.198
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [45.490,10.130],
"number_observations": 4236,
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}