Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fdb2eaf779fc2e5359e5173a59f3b53c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.825,
"b": 57.983,
"c": 114.432,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.820,1.390],
"number_observations": 425314,
"number_observations_unique": 70205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 25704,
"number_observations_unique": 5119,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.198
},
{
"type": "R(meas)",
"value": 1.337
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [51.820,6.220],
"number_observations": 5473,
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 61.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}