Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86677883afb52a8ee4a8e77814fbb02f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.740,
"b": 73.239,
"c": 44.919,
"alpha": 90.00,
"beta": 108.51,
"gamma": 90.00
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.410,2.000],
"number_observations": 84074,
"number_observations_unique": 16530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 4713,
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [18.410,8.720],
"number_observations": 537,
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}