Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b6e1eb349b505f342ecfa00825b6aaf0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 165.977,
"b": 170.183,
"c": 99.695,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.780,2.530],
"number_observations": 337771,
"number_observations_unique": 46900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.530],
"number_observations": 27230,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.848
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [63.780,9.800],
"number_observations": 6121,
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}