Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08d1acb2476aa7c01ca200e9124beae5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.210,
"b": 114.299,
"c": 120.807,
"alpha": 90.00,
"beta": 100.54,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.300,2.070],
"number_observations": 400803,
"number_observations_unique": 118894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 28258,
"number_observations_unique": 8785,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.329
},
{
"type": "R(meas)",
"value": 1.600
},
{
"type": "R(pim)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [114.300,9.260],
"number_observations": 5085,
"number_observations_unique": 1388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}