Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dca7cb418979e844f846d235bc7c5114",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.72,
"b": 45.41,
"c": 83.39,
"alpha": 90.00,
"beta": 102.12,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.740,1.430],
"number_observations": 289829,
"number_observations_unique": 82933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 21279,
"number_observations_unique": 6125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.736
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [36.740,6.400],
"number_observations": 3453,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}