Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "336cb0aad882b4dc1af1d26eddcc8a02",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 157.016,
"b": 162.520,
"c": 160.045,
"alpha": 90.0,
"beta": 94.1,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [159.640,2.400],
"number_observations": 559499,
"number_observations_unique": 153212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations": 26626,
"number_observations_unique": 7663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [159.640,13.150],
"number_observations": 3305,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}