Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c05ad4f9fe0b0ffeed132d090df42a0",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.708,
"b": 95.708,
"c": 45.716,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.240,1.390],
"number_observations": 517352,
"number_observations_unique": 40466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 18228,
"number_observations_unique": 2001,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.682
},
{
"type": "R(meas)",
"value": 4.964
},
{
"type": "R(pim)",
"value": 1.618
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.284
}
]
},
{
"resolution_limits": [31.240,7.350],
"number_observations": 3727,
"number_observations_unique": 301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 77.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}