Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcbb16a7e23d4591be1a0a79c49dbf63",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 159.116,
"b": 106.523,
"c": 84.984,
"alpha": 90.00,
"beta": 92.13,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.120,2.250],
"number_observations": 227494,
"number_observations_unique": 67019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.250],
"number_observations": 15071,
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [45.120,10.550],
"number_observations": 2209,
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}