Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23d4ab809d97be22ecbf1cde25a04dfd",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 92.696,
"b": 92.696,
"c": 129.368,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.350,1.390],
"number_observations": 647249,
"number_observations_unique": 66070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.390],
"number_observations": 52782,
"number_observations_unique": 6407,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.307
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [46.350,5.380],
"number_observations": 12701,
"number_observations_unique": 1270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}