Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9333a71e02626c6d3e025938079bdd3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.251,
"b": 119.204,
"c": 123.397,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.870,2.450],
"number_observations": 132047,
"number_observations_unique": 19949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 14108,
"number_observations_unique": 2118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.855
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [42.870,8.830],
"number_observations": 2818,
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}