Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33af0be1434f6ecb75322ba7da8e3ab8",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 79.45,
"b": 79.45,
"c": 45.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.450,2.570],
"number_observations": 59161,
"number_observations_unique": 4962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.570],
"number_observations": 7211,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [79.450,8.900],
"number_observations": 1431,
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}