Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2e1b1b0aad3911d8a635cb96afc37769",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.486,
"b": 69.979,
"c": 154.161,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.69,1.55],
"number_observations_unique": 76985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 13.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [19.69,4.69],
"number_observations_unique": 3849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.72,1.55],
"number_observations_unique": 3849,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.976
},
{
"type": "R(meas)",
"value": 2.048
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 44.5
},
{
"type": "Redundancy",
"value": 14.3
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
}
]
}