Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b6ca268d2e2a47e02086a47d4287fb5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.32,
"b": 102.14,
"c": 126.46,
"alpha": 90.00,
"beta": 106.42,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.5930,1.540],
"number_observations_unique": 363339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 63243,
"number_observations_unique": 17948,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.297
},
{
"type": "R(meas)",
"value": 1.535
},
{
"type": "R(pim)",
"value": 0.813
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [48.590,8.430],
"number_observations": 16470,
"number_observations_unique": 2305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}