Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3846ba445610e1b49c729a75a15e9e43",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 99.28,
"b": 130.96,
"c": 115.91,
"alpha": 90.00,
"beta": 90.68,
"gamma": 90.00
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.960,2.100],
"number_observations": 235067,
"number_observations_unique": 85256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 12059,
"number_observations_unique": 4549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [46.960,11.110],
"number_observations": 1484,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}