Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0156e5ba72136c1469dbf30e4ae1f53",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.832,
"b": 56.977,
"c": 114.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.970,1.460],
"number_observations": 381085,
"number_observations_unique": 60026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 24969,
"number_observations_unique": 4364,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.367
},
{
"type": "R(meas)",
"value": 1.505
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.516
}
]
},
{
"resolution_limits": [56.970,6.530],
"number_observations": 4735,
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}