Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06bd8940fb2312ffd830601ae0e05e6e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 9.21,
"b": 11.98,
"c": 22.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [11.400,1.100],
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 6.476
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.100],
"number_observations_unique": 117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 7.340
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 6.427
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.220,1.150],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.299
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.290,1.220],
"number_observations_unique": 115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 6.887
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.380,1.290],
"number_observations_unique": 126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.770
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.490,1.380],
"number_observations_unique": 115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 9.180
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.774
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.630,1.490],
"number_observations_unique": 98,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 11.420
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 6.745
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.820,1.630],
"number_observations_unique": 104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 11.380
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.548
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.110,1.820],
"number_observations_unique": 91,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 13.930
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.703
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.580,2.110],
"number_observations_unique": 81,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 14.330
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.086
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.650,2.580],
"number_observations_unique": 64,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.906
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [11.400,3.650],
"number_observations_unique": 45,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 13.010
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}