Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3fb2c99eac961cbc46837ae9c3193ef",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.95,
"b": 57.09,
"c": 115.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.700,1.360],
"number_observations": 319664,
"number_observations_unique": 70147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.360],
"number_observations": 14687,
"number_observations_unique": 4609,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.456
},
{
"type": "R(meas)",
"value": 1.730
},
{
"type": "R(pim)",
"value": 0.913
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [25.700,6.080],
"number_observations": 5577,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}