Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a77a2099e07b9126ec18d0fb843ebbe1",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 69.28,
"b": 69.28,
"c": 318.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.63,3.00],
"number_observations_unique": 9900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
"refln_shells": [
{
"resolution_limits": [15.63,6.33],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.33,5.08],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.08,4.46],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.46,4.06],
"number_observations_unique": 1686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.88
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [4.06,3.77],
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.21
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 86.25
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [3.77,3.55],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.18
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 84.57
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [3.55,3.38],
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 78.99
},
{
"type": "Redundancy",
"value": 2.91
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.07
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.78
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.06
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.915
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.64
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
}
]
}