Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f99e7d0efb1267adf4e945032656d6a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 92.605,
"b": 78.144,
"c": 132.613,
"alpha": 90.00,
"beta": 90.36,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.600,2.070],
"number_observations": 343045,
"number_observations_unique": 110145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.070],
"number_observations": 39706,
"number_observations_unique": 17627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [92.600,6.220],
"number_observations": 13800,
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}