Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae2a5333bf030dbfbca75e55b721b182",
"space_group_name": "P 41",
"unit_cell": {
"a": 62.522,
"b": 62.522,
"c": 156.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946,0.97960,0.97178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 47054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 4702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 4688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 4722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 4729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 4703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 4706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 4741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 4711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 4714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 4638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 12.400
}
]
}
]
}