Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfad45529d33d464a2a44a3d0d4e75cd",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 46.303,
"b": 60.910,
"c": 92.693,
"alpha": 90.00,
"beta": 96.85,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.240,1.520],
"number_observations": 146055,
"number_observations_unique": 39087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 7044,
"number_observations_unique": 1909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [43.240,8.330],
"number_observations": 1023,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}