Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83cf7efc8dbc6eb7cae17e0ebe3cfd4a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.999,
"b": 93.246,
"c": 91.061,
"alpha": 90.00,
"beta": 104.41,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.540,2.050],
"number_observations": 284760,
"number_observations_unique": 67504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 13791,
"number_observations_unique": 4215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [19.540,9.620],
"number_observations": 2519,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}