Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47e0d1b149c4dba7766ffc69f33c1370",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.126,
"b": 68.668,
"c": 117.654,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.310,2.270],
"number_observations": 37422,
"number_observations_unique": 9628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.270],
"number_observations": 3385,
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.273
},
{
"type": "R(pim)",
"value": 0.628
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [59.310,9.090],
"number_observations": 531,
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}