Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28e68c02688bc479bbae4aef8c9fe921",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.220,
"b": 57.126,
"c": 115.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.790,1.570],
"number_observations": 320762,
"number_observations_unique": 48938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 23495,
"number_observations_unique": 3537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [28.790,7.020],
"number_observations": 3846,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 75.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}