Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81486329af1e3ba97d665dcb93f10bf0",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 68.490,
"b": 68.490,
"c": 167.476,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.400,1.480],
"number_observations": 485875,
"number_observations_unique": 39743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 22003,
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.732
},
{
"type": "R(meas)",
"value": 2.861
},
{
"type": "R(pim)",
"value": 0.840
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [48.400,8.110],
"number_observations": 3475,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 71.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}