Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "544852a54da6929a011c57ddb1f913eb",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.629,
"b": 78.629,
"c": 137.470,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97627],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.253,1.855],
"number_observations_unique": 32643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.966,1.855],
"number_observations": 18945,
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.178
},
{
"type": "R(meas)",
"value": 2.278
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 59.400
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [68.253,5.465],
"number_observations": 15804,
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}