Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd5603e7a244115fff8ef7458b9abe21",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.572,
"b": 189.858,
"c": 49.723,
"alpha": 90.00,
"beta": 117.64,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.460,1.800],
"number_observations": 411472,
"number_observations_unique": 70262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 23741,
"number_observations_unique": 4054,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.047
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [47.460,9.000],
"number_observations": 3490,
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}