Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fcde4ad7691774b296d36527f43c6d7",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.641,
"b": 42.641,
"c": 216.343,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.090,2.600],
"number_observations": 149624,
"number_observations_unique": 6844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.607
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.600],
"number_observations": 22291,
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.648
},
{
"type": "R(meas)",
"value": 5.773
},
{
"type": "R(pim)",
"value": 1.179
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.100
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [54.090,8.230],
"number_observations": 4172,
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}