Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1c63b20f03cb08769f6d4f908055d90",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 155.358,
"b": 159.106,
"c": 157.716,
"alpha": 90.00,
"beta": 95.22,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.060,2.060],
"number_observations_unique": 435292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.060],
"number_observations": 33779,
"number_observations_unique": 11177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.991
},
{
"type": "R(meas)",
"value": 1.209
},
{
"type": "R(pim)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [49.060,11.280],
"number_observations": 5030,
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}