Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db066cfec4e42835e66c57f6d2c333a7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 42.863,
"b": 85.509,
"c": 64.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.750,1.310],
"number_observations_unique": 56993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.310],
"number_observations_unique": 5563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [42.750,5.070],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}