Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e428986ea30c64fa3ddda30769d93e70",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.69,
"b": 52.48,
"c": 101.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.530,1.790],
"number_observations": 166387,
"number_observations_unique": 25856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 11740,
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.699
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "R(pim)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [28.530,8.010],
"number_observations": 1948,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}