Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df06b1fc33eac9e40efb8b4e868d3c04",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.658,
"b": 79.353,
"c": 89.585,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.180,1.400],
"number_observations": 579052,
"number_observations_unique": 86877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.400],
"number_observations": 85051,
"number_observations_unique": 12582,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.084
},
{
"type": "R(meas)",
"value": 2.256
},
{
"type": "R(pim)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.414
}
]
},
{
"resolution_limits": [49.180,4.420],
"number_observations": 18702,
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}