Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b61eef109d2c57839e638ee2bf2f500",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.459,
"b": 65.250,
"c": 84.373,
"alpha": 90.00,
"beta": 93.56,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.210,1.980],
"number_observations": 170524,
"number_observations_unique": 51985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 11626,
"number_observations_unique": 3823,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.067
},
{
"type": "R(meas)",
"value": 1.299
},
{
"type": "R(pim)",
"value": 0.732
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [84.210,8.850],
"number_observations": 2064,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}