Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a24fbd3550bd46a6811b63ff827e952",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.202,
"b": 53.196,
"c": 44.535,
"alpha": 90.00,
"beta": 103.21,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.060,1.710],
"number_observations": 97002,
"number_observations_unique": 27791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 4331,
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.611
},
{
"type": "R(meas)",
"value": 1.929
},
{
"type": "R(pim)",
"value": 1.036
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.249
}
]
},
{
"resolution_limits": [55.060,9.040],
"number_observations": 790,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}