Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b197767a6e46204fcbce7c607f234ddb",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 65.94,
"b": 65.94,
"c": 65.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,3.0],
"number_observations_unique": 3061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 88
}
]
},
"refln_shells": [
{
"resolution_limits": [3.17,3.00],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.51
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [3.38,3.17],
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [3.66,3.38],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [4.07,3.66],
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [4.76,4.07],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [6.46,4.76],
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 98
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [50.0,6.46],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 98
},
{
"type": "Redundancy",
"value": 3.3
}
]
}
]
}