Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fd604b00b9f466aeeb271bbbc09322d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.735,
"b": 67.480,
"c": 111.249,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [111.250,1.640],
"number_observations_unique": 58701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 9396,
"number_observations_unique": 2330,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.203
},
{
"type": "R(meas)",
"value": 1.377
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [111.250,8.990],
"number_observations": 1664,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}