Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab1655669f5bb32403ddf571e553b10a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.70,
"b": 45.37,
"c": 63.49,
"alpha": 90.00,
"beta": 110.98,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.700,1.790],
"number_observations": 94177,
"number_observations_unique": 28931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 6779,
"number_observations_unique": 2102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(meas)",
"value": 0.970
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [49.700,8.010],
"number_observations": 1043,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}