Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07ce62c5c22eeb999ce973edb7517f8f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.378,
"b": 64.560,
"c": 72.519,
"alpha": 90.00,
"beta": 117.55,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.300,2.300],
"number_observations": 86772,
"number_observations_unique": 16584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8470,
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [64.300,8.910],
"number_observations": 1720,
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}