Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d87a6b54c0144c5f49485a2859a49d9a",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.427,
"b": 95.427,
"c": 45.844,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.460,1.290],
"number_observations": 567249,
"number_observations_unique": 50969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 8300,
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.285
},
{
"type": "R(meas)",
"value": 1.495
},
{
"type": "R(pim)",
"value": 0.740
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [67.460,7.070],
"number_observations": 4254,
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 104.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}