Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcda6b05c0eef24e4e388eb838cefaa4",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 36.965,
"b": 36.965,
"c": 162.571,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.430,1.800],
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 116.648
},
{
"type": "R(meas)",
"value": 143.064
},
{
"type": "R(pim)",
"value": 81.297
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 57.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [31.410,7.850],
"number_observations_unique": 64,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [2.48,2.36],
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.421
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.2
}
]
}
]
}