Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "424cc44f9901e49ea10e69ae5126f39a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 96.860,
"b": 34.219,
"c": 100.445,
"alpha": 90.00,
"beta": 99.95,
"gamma": 90.00
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.730,2.000],
"number_observations_unique": 41923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 8291,
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "R(meas)",
"value": 0.688
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 60.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [47.730,8.930],
"number_observations": 4114,
"number_observations_unique": 566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}