Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4fffc1ad70e3e85c94093d693fedde8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.968,
"b": 78.968,
"c": 36.810,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.480,1.780],
"number_observations_unique": 11475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 4158,
"number_observations_unique": 508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.488
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [39.480,9.100],
"number_observations": 2102,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}