Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "656fb7cf2ac3ae34f8ac670c4a374e69",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.164,
"b": 52.739,
"c": 44.481,
"alpha": 90.00,
"beta": 102.96,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.650,1.800],
"number_observations": 85876,
"number_observations_unique": 23587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4730,
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.649
},
{
"type": "R(meas)",
"value": 1.952
},
{
"type": "R(pim)",
"value": 1.028
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.284
}
]
},
{
"resolution_limits": [54.650,9.000],
"number_observations": 796,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}