Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8798bc7f6339575fde63dc23c3921b2b",
"space_group_name": "P 43 3 2",
"unit_cell": {
"a": 138.5,
"b": 138.5,
"c": 138.5,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.540,1.720],
"number_observations": 3750555,
"number_observations_unique": 48671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 3535,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.977
},
{
"type": "R(meas)",
"value": 4.003
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 76.900
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [56.540,7.690],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 106.9
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 61.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}