Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ba0463a4a6113ba0118e6b42f16897f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 153.140,
"b": 60.139,
"c": 152.558,
"alpha": 90.00,
"beta": 104.04,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.050,3.550],
"number_observations": 53137,
"number_observations_unique": 16611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
"refln_shells": [
{
"resolution_limits": [3.640,3.550],
"number_observations": 3987,
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [74.050,15.880],
"number_observations": 535,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
}
]
}