Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73c96a323224d3cb52bef0566fe64429",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.780,
"b": 45.603,
"c": 83.559,
"alpha": 90.00,
"beta": 101.96,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.580,2.010],
"number_observations": 106525,
"number_observations_unique": 30129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 7314,
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.176
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [28.580,8.980],
"number_observations": 1276,
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}