Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46869cafa14e7f96d38b180745b18f44",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.262,
"b": 114.807,
"c": 120.818,
"alpha": 90.00,
"beta": 100.49,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.560,1.960],
"number_observations": 472410,
"number_observations_unique": 139659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,1.960],
"number_observations": 70129,
"number_observations_unique": 20366,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.610
},
{
"type": "R(meas)",
"value": 1.910
},
{
"type": "R(pim)",
"value": 1.018
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [82.560,6.200],
"number_observations": 14867,
"number_observations_unique": 4523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}