Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7510c4e50446112676ccfcd849184b06",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.369,
"b": 45.363,
"c": 83.302,
"alpha": 90.00,
"beta": 101.93,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.670],
"number_observations": 165749,
"number_observations_unique": 51716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.670],
"number_observations": 10602,
"number_observations_unique": 3503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.996
},
{
"type": "R(meas)",
"value": 1.196
},
{
"type": "R(pim)",
"value": 0.652
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [28.470,7.480],
"number_observations": 2118,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}