Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8af3395abd7ed4b74f0b17691642aee4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.196,
"b": 69.916,
"c": 57.826,
"alpha": 90.00,
"beta": 91.97,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.300,1.850],
"number_observations": 257134,
"number_observations_unique": 37143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 15935,
"number_observations_unique": 2230,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.310
},
{
"type": "R(meas)",
"value": 2.492
},
{
"type": "R(pim)",
"value": 0.926
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [54.300,8.860],
"number_observations": 2149,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}