Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "236ad326e18eff10ec7db8a06faf3dc4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.175,
"b": 65.798,
"c": 72.307,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.180,1.940],
"number_observations": 84880,
"number_observations_unique": 18026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 3942,
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [56.180,9.100],
"number_observations": 1200,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}