Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8109afcae5ce56ab0e69d7796503d0bc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 92.299,
"b": 144.662,
"c": 97.756,
"alpha": 90.0,
"beta": 117.8,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.470,1.980],
"number_observations": 1604954,
"number_observations_unique": 157930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,1.980],
"number_observations": 230134,
"number_observations_unique": 23055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.937
},
{
"type": "R(meas)",
"value": 0.988
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [86.470,6.250],
"number_observations": 48422,
"number_observations_unique": 5089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}