Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08baecb74a7cf10989479b91ad2d52fa",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.627,
"b": 95.627,
"c": 45.747,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.810,1.390],
"number_observations": 387308,
"number_observations_unique": 40439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.390],
"number_observations": 39166,
"number_observations_unique": 5308,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.283
},
{
"type": "R(meas)",
"value": 2.442
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.423
}
]
},
{
"resolution_limits": [47.810,4.390],
"number_observations": 13366,
"number_observations_unique": 1388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}