Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41ad79d5dc66c76d9f2d2340f420e195",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 177.107,
"b": 177.107,
"c": 177.107,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.600,2.150],
"number_observations": 897710,
"number_observations_unique": 50138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 67395,
"number_observations_unique": 4267,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.032
},
{
"type": "R(meas)",
"value": 2.099
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [39.600,8.860],
"number_observations": 14093,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}