Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96bf7baa910e5c57451efc998dae88da",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.574,
"b": 121.392,
"c": 160.446,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [160.450,2.390],
"number_observations": 286070,
"number_observations_unique": 50383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.390],
"number_observations": 27542,
"number_observations_unique": 4604,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.873
},
{
"type": "R(meas)",
"value": 2.058
},
{
"type": "R(pim)",
"value": 0.840
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [160.450,9.560],
"number_observations": 4549,
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}