Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3de00f7225fcdd65d111570eef74dcf7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.855,
"b": 128.428,
"c": 148.810,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.610,1.910],
"number_observations_unique": 88352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.910],
"number_observations_unique": 4448,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.228
},
{
"type": "R(meas)",
"value": 2.336
},
{
"type": "R(pim)",
"value": 0.684
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [48.610,10.290],
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}