Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e39c4d8138df524fef13aaf33a1e2add",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 154.367,
"b": 103.258,
"c": 102.299,
"alpha": 90.00,
"beta": 131.48,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.250,1.380],
"number_observations": 1177549,
"number_observations_unique": 245617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 47557,
"number_observations_unique": 12112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [45.250,7.560],
"number_observations": 7350,
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
}
]
}