Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65d2d3725d983b5a014dbe795cbd7e43",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.472,
"b": 103.371,
"c": 87.249,
"alpha": 90.00,
"beta": 101.24,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.590,2.400],
"number_observations": 145758,
"number_observations_unique": 48288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 10686,
"number_observations_unique": 3551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.979
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [85.590,10.730],
"number_observations": 1798,
"number_observations_unique": 577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}