Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c8b0c22a3f190a3fa0e2ad71eac795c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.050,
"b": 108.380,
"c": 117.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.390,2.100],
"number_observations": 564387,
"number_observations_unique": 50068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 37878,
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.433
},
{
"type": "R(meas)",
"value": 4.654
},
{
"type": "R(pim)",
"value": 1.375
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [42.390,8.910],
"number_observations": 8720,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}