Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cfd10db643f21d75197d3a39bab33ed",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.217,
"b": 66.412,
"c": 75.202,
"alpha": 90.15,
"beta": 91.80,
"gamma": 104.94
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.070,1.730],
"number_observations": 622673,
"number_observations_unique": 121965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 29475,
"number_observations_unique": 5993,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.113
},
{
"type": "R(meas)",
"value": 1.249
},
{
"type": "R(pim)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [49.070,9.480],
"number_observations": 4138,
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}