Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cfbe112a4aeb9bb7589f984cf0eb9f5",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 35.628,
"b": 35.628,
"c": 110.472,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.960,1.500],
"number_observations": 41352,
"number_observations_unique": 12949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 1860,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.867
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [17.960,8.220],
"number_observations": 212,
"number_observations_unique": 78,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}