Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a7ca0978941ba67fb738d7667b235be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.289,
"b": 156.609,
"c": 118.890,
"alpha": 90.00,
"beta": 107.33,
"gamma": 90.00
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.300,3.150],
"number_observations": 65258,
"number_observations_unique": 25912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
"refln_shells": [
{
"resolution_limits": [3.370,3.150],
"number_observations": 10927,
"number_observations_unique": 4636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [78.300,8.910],
"number_observations": 2900,
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}