Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81adadfb0a248be43c5d5f29d0156d19",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.65,
"b": 109.11,
"c": 111.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.140,1.960],
"number_observations": 406778,
"number_observations_unique": 70595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 23511,
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.944
},
{
"type": "R(meas)",
"value": 2.195
},
{
"type": "R(pim)",
"value": 1.002
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [78.140,8.770],
"number_observations": 5747,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}