Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8b3ad974cde6763e5138aabb199fd44f",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.702,
"b": 88.702,
"c": 39.584,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.350,0.950],
"number_observations": 1289076,
"number_observations_unique": 192078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 51990,
"number_observations_unique": 8844,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.567
},
{
"type": "R(meas)",
"value": 1.720
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
},
{
"resolution_limits": [44.350,5.200],
"number_observations": 8551,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}