Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b3d388d60b56730b011c05db1acddd5",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 59.325,
"b": 59.325,
"c": 185.821,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.5,2.390],
"number_observations_unique": 13972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 25.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.390],
"number_observations": 35075,
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.507
},
{
"type": "R(meas)",
"value": 2.560
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [46.460,8.940],
"number_observations": 6871,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}