Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1cd54d84462ceb688fc31d4258c3eaa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.284,
"b": 99.669,
"c": 167.057,
"alpha": 90.00,
"beta": 94.92,
"gamma": 90.00
},
"wavelengths": [0.97855],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [166.440,2.310],
"number_observations": 403753,
"number_observations_unique": 102743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.310],
"number_observations": 11112,
"number_observations_unique": 4956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.982
},
{
"type": "R(meas)",
"value": 1.312
},
{
"type": "R(pim)",
"value": 0.860
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [166.440,12.650],
"number_observations": 2638,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}