Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14cfa423f35e78b4ddcf8c4d099bd0bd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.50,
"b": 64.65,
"c": 129.39,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97702],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.97],
"number_observations_unique": 26034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 12.78
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.03,1.97],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.7669999999999995
},
{
"type": "R(meas)",
"value": 4.9239999999999995
},
{
"type": "CC(1/2)",
"value": 0.44799999999999995
}
]
},
{
"resolution_limits": [2.08,2.03],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.6260000000000003
},
{
"type": "R(meas)",
"value": 3.747
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations_unique": 3118,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.274
},
{
"type": "R(meas)",
"value": 2.35
},
{
"type": "CC(1/2)",
"value": 0.8320000000000001
}
]
},
{
"resolution_limits": [8.0,2.19],
"number_observations_unique": 18615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10300000000000001
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [14.0,8.00],
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054000000000000006
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [17.0,14.00],
"number_observations_unique": 40,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.0,17.00],
"number_observations_unique": 60,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
}
]
}