Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f33c9315483ca63242e2820f20c8c89",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.090,
"b": 49.312,
"c": 54.283,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.080,2.32],
"number_observations_unique": 6247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.320],
"number_observations": 2303,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.244
},
{
"type": "R(meas)",
"value": 1.354
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [35.080,10.420],
"number_observations": 566,
"number_observations_unique": 84,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}