Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f1694a526d72aa1d9cd4345d8f12800",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.316,
"b": 342.335,
"c": 103.355,
"alpha": 90.00,
"beta": 92.66,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.410,3.250],
"number_observations": 269015,
"number_observations_unique": 86216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.250],
"number_observations": 14202,
"number_observations_unique": 4574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [88.410,17.200],
"number_observations": 1165,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
}
]
}