Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96d433b3fe931bdb19c5839272d54097",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 117.654,
"b": 117.654,
"c": 170.278,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.780,2.510],
"number_observations": 523823,
"number_observations_unique": 24294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 21.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.510],
"number_observations": 76542,
"number_observations_unique": 3463,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.598
},
{
"type": "R(meas)",
"value": 1.634
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 22.100
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [19.780,7.940],
"number_observations": 14870,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}