Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca22f7876ab6243775b531378a0f7a06",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.106,
"b": 74.072,
"c": 88.967,
"alpha": 90.00,
"beta": 103.18,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.622,1.450],
"number_observations_unique": 108708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations_unique": 15481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.620,1.530],
"number_observations_unique": 14890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.730,1.620],
"number_observations_unique": 14088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.870,1.730],
"number_observations_unique": 13119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.050,1.870],
"number_observations_unique": 12181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.290,2.050],
"number_observations_unique": 10984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.650,2.290],
"number_observations_unique": 9736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.240,2.650],
"number_observations_unique": 8282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [4.590,3.240],
"number_observations_unique": 6419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [19.721,4.590],
"number_observations_unique": 3528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}