Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6b9040fba138c2ba3256c076b28fe71",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.200,
"b": 70.133,
"c": 58.000,
"alpha": 90.00,
"beta": 92.18,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.100,1.860],
"number_observations": 254462,
"number_observations_unique": 36562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 14317,
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.544
},
{
"type": "R(meas)",
"value": 3.831
},
{
"type": "R(pim)",
"value": 1.440
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [70.100,8.920],
"number_observations": 2160,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}