Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7a6f068fbab0ef3e8403c1100fb0c1b",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.38,
"b": 99.38,
"c": 99.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.990,1.850],
"number_observations": 157965,
"number_observations_unique": 16263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 12059,
"number_observations_unique": 1191,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.654
},
{
"type": "R(meas)",
"value": 1.743
},
{
"type": "R(pim)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.628
}
]
},
{
"resolution_limits": [42.990,8.270],
"number_observations": 1871,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}