Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a31c4090f21c5a373ee4fe9b73a9823",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.282,
"b": 65.029,
"c": 84.344,
"alpha": 90.00,
"beta": 93.48,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.460,1.960],
"number_observations": 176226,
"number_observations_unique": 53406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 11987,
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.341
},
{
"type": "R(pim)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [68.460,8.770],
"number_observations": 2142,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}