Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c68c8cf99742e9f74098345e6228f45",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.113,
"b": 94.148,
"c": 117.237,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.920,1.250],
"number_observations": 1272536,
"number_observations_unique": 103846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 61643,
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [18.920,6.850],
"number_observations": 8269,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}