Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72deb1e2a0e45b1862f0b652d2f64f05",
"space_group_name": "P 31",
"unit_cell": {
"a": 114.126,
"b": 114.126,
"c": 94.834,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.840,2.200],
"number_observations_unique": 139185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.200],
"number_observations": 25207,
"number_observations_unique": 4550,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.649
},
{
"type": "R(meas)",
"value": 2.930
},
{
"type": "R(pim)",
"value": 1.248
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [98.840,10.550],
"number_observations": 3045,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}