Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5eb109aa04f3c2623a17590558fc4d3c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.698,
"b": 64.269,
"c": 74.465,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.740,2.300],
"number_observations": 82333,
"number_observations_unique": 19953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8013,
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [34.740,8.910],
"number_observations": 1308,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}