Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45446d3be2dcfe98431eee067b68b934",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.87,
"b": 67.87,
"c": 167.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.090,1.900],
"number_observations": 168872,
"number_observations_unique": 18295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10924,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.481
},
{
"type": "R(meas)",
"value": 1.571
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [34.090,9.110],
"number_observations": 1502,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}