Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "008c392ba2787be70dd8c04456221a6d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 114.06,
"b": 114.06,
"c": 88.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.86,1.7],
"number_observations_unique": 142915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.47
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.8,1.70],
"number_observations_unique": 22937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [1.93,1.80],
"number_observations_unique": 21746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [2.08,1.93],
"number_observations_unique": 20229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "CC(1/2)",
"value": 0.9620000000000001
}
]
},
{
"resolution_limits": [2.28,2.08],
"number_observations_unique": 18633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.17
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [2.55,2.28],
"number_observations_unique": 16860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.94,2.55],
"number_observations_unique": 14870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.6,2.94],
"number_observations_unique": 12532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.07,3.60],
"number_observations_unique": 9710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.044000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.86,5.07],
"number_observations_unique": 5396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}