Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c08a06eb77599f8a131c029e11411e2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.956,
"b": 130.127,
"c": 38.993,
"alpha": 90.00,
"beta": 115.24,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.75,1.510],
"number_observations_unique": 49673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 9392,
"number_observations_unique": 1841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 72.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [29.730,8.290],
"number_observations": 2232,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}