Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cf38494c8cad13bec3075d1082c8943",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.503,
"b": 46.461,
"c": 69.146,
"alpha": 90.00,
"beta": 105.64,
"gamma": 90.00
},
"wavelengths": [0.97243,0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 20495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}