Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bb72dc7d8400bc0b432fe4b2cf737800",
"space_group_name": "P 21 2 2",
"unit_cell": {
"a": 66.37,
"b": 131.21,
"c": 225.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.470,3.100],
"number_observations": 152755,
"number_observations_unique": 36576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.240,3.100],
"number_observations": 18899,
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.102
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [85.470,10.740],
"number_observations": 3874,
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}