Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47142117daa16dd428e9fb8972db76c1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.899,
"b": 81.308,
"c": 60.023,
"alpha": 90.00,
"beta": 103.46,
"gamma": 90.00
},
"wavelengths": [1.34138],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.88,1.870],
"number_observations_unique": 41757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 7708,
"number_observations_unique": 2253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 83.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [24.510,8.990],
"number_observations": 3345,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}