Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd89282596135d75c51c878e0dc65eeb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.106,
"b": 81.525,
"c": 32.052,
"alpha": 90.00,
"beta": 117.85,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.760,1.220],
"number_observations": 125583,
"number_observations_unique": 41727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.220],
"number_observations": 13578,
"number_observations_unique": 5997,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.053
},
{
"type": "R(meas)",
"value": 1.363
},
{
"type": "R(pim)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [40.760,3.850],
"number_observations": 4202,
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}