Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "294aef34fc31c1670f78b6907f1638fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.962,
"b": 102.484,
"c": 106.020,
"alpha": 90.00,
"beta": 91.43,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.183],
"number_observations_unique": 82334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 8436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 8405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 8296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 8265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 8367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 8274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 8181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 8138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.740,3.760],
"number_observations_unique": 8068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.000,4.740],
"number_observations_unique": 7904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}