Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "854a2a5834dcb60e715aedd794a77848",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 143.594,
"b": 55.429,
"c": 50.976,
"alpha": 90.0,
"beta": 101.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.060,1.600],
"number_observations": 262294,
"number_observations_unique": 51937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 11482,
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.336
},
{
"type": "R(meas)",
"value": 1.490
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [45.060,8.750],
"number_observations": 1709,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}