Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e6450a2d506266eb1e90059b473f79e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 157.701,
"b": 42.812,
"c": 73.573,
"alpha": 90.00,
"beta": 94.61,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.590,1.950],
"number_observations_unique": 35579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8893,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [78.590,8.940],
"number_observations": 1013,
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}