Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2ed2dd30054959861878e2a2155b13d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.349,
"b": 35.046,
"c": 37.691,
"alpha": 90.00,
"beta": 92.05,
"gamma": 90.00
},
"wavelengths": [0.97180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.670,1.150],
"number_observations": 185096,
"number_observations_unique": 32754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 3104,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 57.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [37.670,6.300],
"number_observations": 1219,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}