Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d64834524e53898b8f18142a53035b8c",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 36.888,
"b": 36.888,
"c": 162.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.360,1.800],
"number_observations_unique": 3891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.821
},
{
"type": "R(meas)",
"value": 3.470
},
{
"type": "R(pim)",
"value": 1.981
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 56.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.153
}
]
},
{
"resolution_limits": [31.340,7.840],
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 1
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.9,1.85],
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.92
},
{
"type": "R(pim)",
"value": 1.092
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 72.7
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.312
}
]
},
{
"resolution_limits": [1.96,1.9],
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.582
},
{
"type": "R(pim)",
"value": 0.894
},
{
"type": "Completeness",
"value": 85.6
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [2.02,1.96],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.232
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.085
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
}
]
}