Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5084d69d935a8043157a6d84fd03d34b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.413,
"b": 66.096,
"c": 73.382,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.11,1.91],
"number_observations_unique": 40437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.51
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 2.56
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 4.64
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 5927,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.495
},
{
"type": "R(meas)",
"value": 5.129
},
{
"type": "CC(1/2)",
"value": 0.238
}
]
},
{
"resolution_limits": [2.16,2.02],
"number_observations_unique": 6257,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.154
},
{
"type": "R(meas)",
"value": 2.424
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [2.33,2.16],
"number_observations_unique": 5842,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.37
},
{
"type": "R(meas)",
"value": 1.544
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [2.56,2.33],
"number_observations_unique": 5363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 1.052
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [2.86,2.56],
"number_observations_unique": 4803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "CC(1/2)",
"value": 0.79
}
]
},
{
"resolution_limits": [3.3,2.86],
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [4.04,3.30],
"number_observations_unique": 3620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.4
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [5.69,4.04],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [56.41,5.69],
"number_observations_unique": 1563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
}
]
}