Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "825c6780e41e82fe3502be1168fbc1ed",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 98.047,
"b": 105.418,
"c": 219.260,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.230],
"number_observations_unique": 55489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.230],
"number_observations_unique": 5478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.400,2.310],
"number_observations_unique": 5542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.510,2.400],
"number_observations_unique": 5464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.640,2.510],
"number_observations_unique": 5508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.810,2.640],
"number_observations_unique": 5488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.030,2.810],
"number_observations_unique": 5509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.330,3.030],
"number_observations_unique": 5533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.810,3.330],
"number_observations_unique": 5566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.800,3.810],
"number_observations_unique": 5613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [50.000,4.800],
"number_observations_unique": 5788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}