Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "688aa7e4f645788b49b513508ae4e919",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 80.917,
"b": 64.702,
"c": 89.344,
"alpha": 90.00,
"beta": 114.74,
"gamma": 90.00
},
"wavelengths": [0.91000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.560,2.000],
"number_observations": 165050,
"number_observations_unique": 27570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 12594,
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [48.560,8.940],
"number_observations": 1994,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}