Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3c4a558c71dfb643be8cc530842c431",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 63.18,
"b": 74.73,
"c": 118.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.360,2.180],
"number_observations": 83071,
"number_observations_unique": 14968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.180],
"number_observations": 6663,
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [37.360,8.990],
"number_observations": 1188,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}