Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e463e1f0bebfdb94d6e88fe3540fd2b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.797,
"b": 58.146,
"c": 49.295,
"alpha": 90.00,
"beta": 116.25,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.070,1.460],
"number_observations": 120646,
"number_observations_unique": 40667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 5794,
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [29.070,6.520],
"number_observations": 1530,
"number_observations_unique": 480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}